Timtec Blog New Additions to US Stock - available overnight June 2011 part2

ID: ST097994Formula: C29H18Cl4N2O5MW: 616.28LogP: 9.01LogS: -7.19Acceptors: 5Donors: 1Oil: SOLIDIUPACNAME: 4-{(1E)-2-[(3-methylphenyl)carbonylamino]-2-azavinyl}-3-(2,4-dichlorophenylcar bonyloxy)phenyl 2,4-dichlorobenzoateRotation Bonds: 8Lipinski: 2N+O: 7Chiral Centers: 0Smiles: c1(C(Oc2c(/C=N\NC(c3cc(C)ccc3)=O)ccc(OC(c3c(cc(cc3)Cl)Cl)=O)c2)=O)c(cc(cc1)Cl)ClID: ST097995Formula: C24H18N4O6SMW: 490.5LogP: 3.71LogS: -5.11Acceptors: 6Donors: 3Oil: SOLIDIUPACNAME: 1-{(1E)-2-[(4-aminophenyl)carbonylamino]-2-azavinyl}-2-naphthyl 4-nitrobenzene sulfonateRotation Bonds: 3Lipinski: 4N+O: 10Chiral Centers: 0Smiles: S(Oc1c(c2ccccc2cc1)/C=N\NC(c1ccc(cc1)N)=O)(c1ccc([N+]([O-])=O)cc1)(=O)=OID: ST097996Formula: C16H15N3O4MW: 313.31LogP: 1.31LogS: -3.36Acceptors: 4Donors: 4Oil: SOLIDIUPACNAME: N-(4-{N-[(1E)-2-(2,4-dihydroxyphenyl)-1-azavinyl]carbamoyl}phenyl)acetamideRotation Bonds: 4Lipinski: 4N+O: 7Chiral Centers: 0Smiles: C(c1ccc(NC(=O)C)cc1)(N\N=C\c1c(cc(cc1)O)O)=OID: ST097997Formula: C19H21N3O4MW: 355.39LogP: 2.82LogS: -4.27Acceptors: 4Donors: 2Oil: SOLIDIUPACNAME: N-(4-{N-[(1Z)-2-(2,4-dimethoxyphenyl)-1-azavinyl]carbamoyl}phenyl)propanamideRotation Bonds: 5Lipinski: 4N+O: 7Chiral Centers: 0Smiles: C(c1ccc(NC(=O)CC)cc1)(N\N=C/c1c(cc(cc1)OC)OC)=OID: ST097998Formula: C21H15Br2N3O3MW: 517.18LogP: 5.14LogS: -5.35Acceptors: 3Donors: 1Oil: SOLIDIUPACNAME: 2-[(1E)-2-(3-pyridylcarbonylamino)-2-azavinyl]-4,6-dibromophenyl 3-methylbenzo ateRotation Bonds: 5Lipinski: 3N+O: 6Chiral Centers: 0Smiles: c1(OC(c2cc(C)ccc2)=O)c(cc(cc1Br)Br)/C=N\NC(c1cnccc1)=OID: ST097999Formula: C20H22N2O5MW: 370.41LogP: 3.68LogS: -4.66Acceptors: 5Donors: 1Oil: SOLIDIUPACNAME: N-[(1E)-2-(2,3,4-trimethoxyphenyl)-1-azavinyl](4-prop-2-enyloxyphenyl)carboxam ideRotation Bonds: 6Lipinski: 4N+O: 7Chiral Centers: 0Smiles: c1(c(c(/C=N\NC(c2ccc(cc2)OCC=C)=O)ccc1OC)OC)OCID: ST098000Formula: C17H14N2O2MW: 278.31LogP: 3.72LogS: -4.3Acceptors: 2Donors: 1Oil: SOLIDIUPACNAME: N-[(1E)-2-(2-prop-2-ynyloxyphenyl)-1-azavinyl]benzamideRotation Bonds: 4Lipinski: 4N+O: 4Chiral Centers: 0Smiles: C(N\N=C\c1c(OCC#C)cccc1)(=O)c1ccccc1ID: ST098001Formula: C22H27N3O4MW: 397.47LogP: 4.31LogS: -4.96Acceptors: 4Donors: 2Oil: SOLIDIUPACNAME: N-(4-{N-[(1E)-2-(2,4-dimethoxyphenyl)-1-azavinyl]carbamoyl}phenyl)hexanamideRotation Bonds: 8Lipinski: 4N+O: 7Chiral Centers: 0Smiles: C(c1ccc(NC(=O)CCCCC)cc1)(N\N=C\c1c(cc(cc1)OC)OC)=OID: ST098002Formula: C21H25N3O3MW: 367.45LogP: 4.43LogS: -4.88Acceptors: 3Donors: 2Oil: SOLIDIUPACNAME: N-(4-{N-[(1E)-2-(2-methoxyphenyl)-1-azavinyl]carbamoyl}phenyl)hexanamideRotation Bonds: 7Lipinski: 4N+O: 6Chiral Centers: 0Smiles: C(c1ccc(NC(=O)CCCCC)cc1)(N\N=C\c1c(OC)cccc1)=OID: ST098003Formula: C18H21N3O2MW: 311.38LogP: 4.24LogS: -4.57Acceptors: 2Donors: 2Oil: SOLIDIUPACNAME: N-{(1E)-2-[4-(diethylamino)phenyl]-1-azavinyl}(2-hydroxyphenyl)carboxamideRotation Bonds: 5Lipinski: 4N+O: 5Chiral Centers: 0Smiles: c1(C(N\N=C\c2ccc(cc2)N(CC)CC)=O)c(O)cccc1ID: ST098004Formula: C14H12N2O2MW: 240.26LogP: 3.06LogS: -3.8Acceptors: 2Donors: 2Oil: SOLIDIUPACNAME: N-((1E)-2-phenyl-1-azavinyl)(2-hydroxyphenyl)carboxamideRotation Bonds: 3Lipinski: 4N+O: 4Chiral Centers: 0Smiles: c1(C(N\N=C\c2ccccc2)=O)c(O)cccc1ID: ST098005Formula: C14H11N3O4MW: 285.26LogP: 2.53LogS: -3.74Acceptors: 4Donors: 2Oil: SOLIDIUPACNAME: N-[(1E)-2-(2-hydroxyphenyl)-1-azavinyl](3-nitrophenyl)carboxamideRotation Bonds: 4Lipinski: 4N+O: 7Chiral Centers: 0Smiles: [N+](c1cc(C(N\N=C\c2c(O)cccc2)=O)ccc1)([O-])=OID: ST098006Formula: C18H13N3O4MW: 335.32LogP: 3.74LogS: -4.42Acceptors: 4Donors: 2Oil: SOLIDIUPACNAME: N-[(1Z)-2-(2-hydroxynaphthyl)-1-azavinyl](3-nitrophenyl)carboxamideRotation Bonds: 4Lipinski: 4N+O: 7Chiral Centers: 0Smiles: [N+](c1cc(C(N\N=C/c2c3c(cccc3)ccc2O)=O)ccc1)([O-])=OID: ST098007Formula: C19H16N2O3MW: 320.35LogP: 3.8LogS: -4.46Acceptors: 3Donors: 2Oil: SOLIDIUPACNAME: N-[(1E)-2-(2-hydroxynaphthyl)-1-azavinyl](4-methoxyphenyl)carboxamideRotation Bonds: 2Lipinski: 4N+O: 5Chiral Centers: 0Smiles: c1(c2c(cccc2)ccc1O)/C=N\NC(c1ccc(cc1)OC)=OID: ST098008Formula: C15H13BrN2O3MW: 349.18LogP: 3.4LogS: -4.14Acceptors: 3Donors: 2Oil: SOLIDIUPACNAME: N-[(1E)-2-(2-methoxyphenyl)-1-azavinyl](5-bromo-2-hydroxyphenyl)carboxamideRotation Bonds: 5Lipinski: 4N+O: 5Chiral Centers: 0Smiles: c1(C(N\N=C\c2c(OC)cccc2)=O)c(ccc(c1)Br)OID: ST098009Formula: C19H16N2O2MW: 304.35LogP: 4.3LogS: -4.54Acceptors: 2Donors: 2Oil: SOLIDIUPACNAME: N-[(1E)-2-(1-hydroxy(2-naphthyl))-1-azaprop-1-enyl]benzamideRotation Bonds: 2Lipinski: 4N+O: 4Chiral Centers: 0Smiles: c1(c(c2ccccc2cc1)O)/C(=N\NC(=O)c1ccccc1)CID: ST098010Formula: C19H15N3O4MW: 349.35LogP: 4.04LogS: -4.56Acceptors: 4Donors: 2Oil: SOLIDIUPACNAME: N-[(1E)-2-(1-hydroxy(2-naphthyl))-1-azaprop-1-enyl](4-nitrophenyl)carboxamideRotation Bonds: 3Lipinski: 4N+O: 7Chiral Centers: 0Smiles: [N+](c1ccc(C(N\N=C(\c2c(c3ccccc3cc2)O)C)=O)cc1)([O-])=OID: ST098011Formula: C25H17ClN2O3MW: 428.87LogP: 6.82LogS: -5.96Acceptors: 3Donors: 1Oil: SOLIDIUPACNAME: 1-[(1E)-2-(phenylcarbonylamino)-2-azavinyl]-2-naphthyl 4-chlorobenzoateRotation Bonds: 3Lipinski: 3N+O: 5Chiral Centers: 0Smiles: c1(c(OC(c2ccc(cc2)Cl)=O)ccc2c1cccc2)/C=N\NC(=O)c1ccccc1ID: ST098012Formula: C21H19N3O5MW: 393.4LogP: 4.39LogS: -5Acceptors: 5Donors: 1Oil: SOLIDIUPACNAME: N-[(1E)-2-(2-ethoxy-5-nitrophenyl)-1-azavinyl](3-methoxy(2-naphthyl))carboxami deRotation Bonds: 6Lipinski: 4N+O: 8Chiral Centers: 0Smiles: c1(cc2ccccc2cc1OC)C(N\N=C\c1cc([N+]([O-])=O)ccc1OCC)=OID: ST098013Formula: C20H23BrN2O2MW: 403.32LogP: 6.45LogS: -5.52Acceptors: 2Donors: 1Oil: SOLIDIUPACNAME: N-[(1E)-2-(2-hexyloxyphenyl)-1-azavinyl](4-bromophenyl)carboxamideRotation Bonds: 8Lipinski: 3N+O: 4Chiral Centers: 0Smiles: C(c1ccc(cc1)Br)(N\N=C\c1c(OCCCCCC)cccc1)=OID: ST098014Formula: C23H15ClIN3O2MW: 527.75LogP: 6.2LogS: -5.71Acceptors: 2Donors: 3Oil: SOLIDIUPACNAME: 6-[(1E)-2-(2-iodophenyl)-2-azavinyl]-2-amino-4-(3-chlorophenyl)-7-hydroxy-4H-c hromene-3-carbonitrileRotation Bonds: 3Lipinski: 2N+O: 5Chiral Centers: 1Smiles: C1(=C(Oc2c(C1c1cc(Cl)ccc1)cc(c(O)c2)/C=N\c1c(I)cccc1)N)C#NID: ST098015Formula: C28H22Cl2N2O3MW: 505.4LogP: 8.1LogS: -6.63Acceptors: 3Donors: 1Oil: SOLIDIUPACNAME: N-((1E)-2-{2-[(2-chlorophenyl)methoxy]phenyl}-1-azavinyl){4-[(4-chlorophenyl)m ethoxy]phenyl}carboxamideRotation Bonds: 6Lipinski: 2N+O: 5Chiral Centers: 0Smiles: C(c1ccc(OCc2ccc(cc2)Cl)cc1)(N\N=C\c1c(OCc2c(Cl)cccc2)cccc1)=OID: ST098016Formula: C21H16Cl2N2O2MW: 399.28LogP: 6.02LogS: -5.46Acceptors: 2Donors: 1Oil: SOLIDIUPACNAME: N-((1E)-2-{2-[(2-chlorophenyl)methoxy]phenyl}-1-azavinyl)(4-chlorophenyl)carbo xamideRotation Bonds: 5Lipinski: 3N+O: 4Chiral Centers: 0Smiles: C(c1ccc(cc1)Cl)(N\N=C\c1c(OCc2c(Cl)cccc2)cccc1)=OID: ST098017Formula: C22H27N3O4MW: 397.47LogP: 6.52LogS: -5.69Acceptors: 4Donors: 1Oil: SOLIDIUPACNAME: N-[(1E)-2-(2-octyloxyphenyl)-1-azavinyl](3-nitrophenyl)carboxamideRotation Bonds: 11Lipinski: 3N+O: 7Chiral Centers: 0Smiles: [N+](c1cc(C(N\N=C\c2c(OCCCCCCCC)cccc2)=O)ccc1)([O-])=OID: ST098018Formula: C25H25BrN2O3MW: 481.39LogP: 7.53LogS: -6.22Acceptors: 3Donors: 1Oil: SOLIDIUPACNAME: N-[(1E)-2-(2-butoxyphenyl)-1-azavinyl]{4-[(4-bromophenyl)methoxy]phenyl}carbox amideRotation Bonds: 7Lipinski: 3N+O: 5Chiral Centers: 0Smiles: C(c1ccc(OCc2ccc(cc2)Br)cc1)(N\N=C\c1c(OCCCC)cccc1)=OID: ST098019Formula: C22H17ClN2O3MW: 392.84LogP: 6.09LogS: -5.51Acceptors: 3Donors: 1Oil: SOLIDIUPACNAME: 2-{(1E)-2-[(3-methylphenyl)carbonylamino]-2-azavinyl}phenyl 4-chlorobenzoateRotation Bonds: 4Lipinski: 3N+O: 5Chiral Centers: 0Smiles: C(Oc1c(/C=N\NC(c2cc(C)ccc2)=O)cccc1)(c1ccc(cc1)Cl)=OID: ST098020Formula: C16H14Br2N2O2MW: 426.11LogP: 5.01LogS: -4.88Acceptors: 2Donors: 1Oil: SOLIDIUPACNAME: N-[(1E)-2-(5-bromo-2-ethoxyphenyl)-1-azavinyl](3-bromophenyl)carboxamideRotation Bonds: 5Lipinski: 4N+O: 4Chiral Centers: 0Smiles: C(c1cc(Br)ccc1)(N\N=C\c1c(ccc(c1)Br)OCC)=OID: ST098021Formula: C15H12Br2N2O3MW: 428.08LogP: 4.04LogS: -4.44Acceptors: 3Donors: 2Oil: SOLIDIUPACNAME: N-[(1E)-2-(5-bromo-2-methoxyphenyl)-1-azavinyl](5-bromo-2-hydroxyphenyl)carbox amideRotation Bonds: 5Lipinski: 4N+O: 5Chiral Centers: 0Smiles: c1(C(N\N=C\c2c(ccc(c2)Br)OC)=O)c(ccc(c1)Br)OID: ST098022Formula: C18H20BrN3O2MW: 390.28LogP: 4.76LogS: -4.84Acceptors: 2Donors: 2Oil: SOLIDIUPACNAME: N-{(1E)-2-[4-(diethylamino)phenyl]-1-azavinyl}(5-bromo-2-hydroxyphenyl)carboxa mideRotation Bonds: 5Lipinski: 4N+O: 5Chiral Centers: 0Smiles: c1(C(N\N=C\c2ccc(cc2)N(CC)CC)=O)c(ccc(c1)Br)OID: ST098023Formula: C19H23N3O2MW: 325.41LogP: 4.37LogS: -4.79Acceptors: 2Donors: 1Oil: SOLIDIUPACNAME: N-{(1E)-2-[4-(diethylamino)phenyl]-1-azavinyl}(4-methoxyphenyl)carboxamideRotation Bonds: 3Lipinski: 4N+O: 5Chiral Centers: 0Smiles: C(c1ccc(cc1)OC)(N\N=C\c1ccc(cc1)N(CC)CC)=OID: ST098024Formula: C17H12Cl2N2OMW: 331.2LogP: 5.06LogS: -4.97Acceptors: 1Donors: 0Oil: SOLIDIUPACNAME: 4-[(2,4-dichlorophenyl)methylene]-3-methyl-1-phenyl-1,2-diazolin-5-oneRotation Bonds: 1Lipinski: 4N+O: 3Chiral Centers: 0Smiles: C1(/C(N(c2ccccc2)N=C1C)=O)=C\c1c(cc(cc1)Cl)ClID: ST098025Formula: C16H15ClN2O3MW: 318.76LogP: 3.57LogS: -4.35Acceptors: 3Donors: 1Oil: SOLIDIUPACNAME: N-[(1E)-2-(2,5-dimethoxyphenyl)-1-azavinyl](3-chlorophenyl)carboxamideRotation Bonds: 5Lipinski: 4N+O: 5Chiral Centers: 0Smiles: C(c1cc(Cl)ccc1)(N\N=C\c1c(ccc(c1)OC)OC)=OID: ST098026Formula: C20H12Br3N3O3MW: 582.05LogP: 5.28LogS: -5.43Acceptors: 3Donors: 1Oil: SOLIDIUPACNAME: 2-[(1E)-2-(4-pyridylcarbonylamino)-2-azavinyl]-4,6-dibromophenyl 3-bromobenzoa teRotation Bonds: 4Lipinski: 3N+O: 6Chiral Centers: 0Smiles: c1(OC(c2cc(Br)ccc2)=O)c(cc(cc1Br)Br)/C=N\NC(=O)c1ccncc1ID: ST098027Formula: C18H19N3O4MW: 341.37LogP: 1.98LogS: -3.97Acceptors: 4Donors: 2Oil: SOLIDIUPACNAME: N-(4-{N-[(1E)-2-(2,4-dimethoxyphenyl)-1-azavinyl]carbamoyl}phenyl)acetamideRotation Bonds: 4Lipinski: 4N+O: 7Chiral Centers: 0Smiles: C(c1ccc(NC(=O)C)cc1)(N\N=C\c1c(cc(cc1)OC)OC)=OID: ST098028Formula: C15H12Br2N2O2MW: 412.08LogP: 4.43LogS: -4.62Acceptors: 2Donors: 1Oil: SOLIDIUPACNAME: N-[(1E)-2-(5-bromo-2-methoxyphenyl)-1-azavinyl](3-bro