咨询热线：028-
药品资讯网--新药研发行业门户!
您现在的位置：
> ZINCR)-4-(1-benzofuran-2-carbonyl)-1-(4,6-dimethyl-1,,3-ben
ZINCR)-4-(1-benzofuran-2-carbonyl)-1-(4,6-dimethyl-1,,3-ben
发布时间：
[Synonyms]ZINC
[Structure]
[ Properties Computed from Structure]
Molecular Weight570.61234 [g/mol]Molecular FormulaC31H26N2O7SXLogP4.7H-Bond Donor1H-Bond Acceptor8Rotatable Bond Count7Tautomer Count3Exact Mass570.146072MonoIsotopic Mass570.146072Topological Polar Surface Area111Heavy Atom Count41Formal Charge0Complexity1030Isotope Atom Count0Defined Atom StereoCenter Count1Undefined Atom StereoCenter Count0Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1
[ Descriptors Computed from Structure]
IUPAC Name: (5R)-4-(1-benzofuran-2-carbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(3,4,5-trimethoxyphenyl)-5H-pyrrol-2-oneCanonical SMILES: CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C3=O)O)C(=O)C4=CC5=CC=CC=C5O4)C6=CC(=C(C(=C6)OC)OC)OC)CIsomeric SMILES: CC1=CC(=C2C(=C1)SC(=N2)N3[C@@H](C(=C(C3=O)O)C(=O)C4=CC5=CC=CC=C5O4)C6=CC(=C(C(=C6)OC)OC)OC)CInChI: InChI=1/C31H26N2O7S/c1-15-10-16(2)25-23(11-15)41-31(32-25)33-26(18-13-21(37-3)29(39-5)22(14-18)38-4)24(28(35)30(33)36)27(34)20-12-17-8-6-7-9-19(17)40-20/h6-14,26,35H,1-5H3/t26-/m1/s1
赞助商链接
推荐专业资料
赞助商链接咨询热线：028-
药品资讯网--新药研发行业门户!
您现在的位置：
2-[(3,4-dichlorophenyl)methylidene]-6-ethoxy-1-benzofuran-3-one,Canon
2-[(3,4-dichlorophenyl)methylidene]-6-ethoxy-1-benzofuran-3-one,Canon
发布时间：
[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight335.18138 [g/mol]Molecular FormulaC17H12Cl2O3XLogP5.2H-Bond Donor0H-Bond Acceptor3Rotatable Bond Count3Exact Mass334.01635MonoIsotopic Mass334.01635Topological Polar Surface Area35.5Heavy Atom Count22Formal Charge0Complexity451Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count0Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count1Covalently-Bonded Unit Count1
[ Descriptors Computed from Structure]
IUPAC Name: 2-[(3,4-dichlorophenyl)methylidene]-6-ethoxy-1-benzofuran-3-oneCanonical SMILES: CCOC1=CC2=C(C=C1)C(=O)C(=CC3=CC(=C(C=C3)Cl)Cl)O2InChI: InChI=1/C17H12Cl2O3/c1-2-21-11-4-5-12-15(9-11)22-16(17(12)20)8-10-3-6-13(18)14(19)7-10/h3-9H,2H2,1H3
赞助商链接
推荐专业资料
赞助商链接咨询热线：028-
药品资讯网--新药研发行业门户!
您现在的位置：
(4S,5S)-4-[(2S)-2-methyl2,,3-dihydro-1-benzofuran-5-carbonyl]-1-(pyri
(4S,5S)-4-[(2S)-2-methyl2,,3-dihydro-1-benzofuran-5-carbonyl]-1-(pyri
发布时间：
[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight432.4916 [g/mol]Molecular FormulaC24H20N2O4SXLogP1.7H-Bond Donor0H-Bond Acceptor5Rotatable Bond Count5Tautomer Count3Exact Mass432.114378MonoIsotopic Mass432.114378Topological Polar Surface Area76.6Heavy Atom Count31Formal Charge0Complexity730Isotope Atom Count0Defined Atom StereoCenter Count3Undefined Atom StereoCenter Count0Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1
[ Descriptors Computed from Structure]
IUPAC Name: (4S,5S)-4-[(2S)-2-methyl2,3-dihydro-1-benzofuran-5-carbonyl]-1-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrrolidine-2,3-dioneCanonical SMILES: CC1CC2=C(O1)C=CC(=C2)C(=O)C3C(N(C(=O)C3=O)CC4=CN=CC=C4)C5=CC=CS5Isomeric SMILES: C[C@H]1CC2=C(O1)C=CC(=C2)C(=O)[C@@H]3[C@H](N(C(=O)C3=O)CC4=CN=CC=C4)C5=CC=CS5InChI: InChI=1/C24H20N2O4S/c1-14-10-17-11-16(6-7-18(17)30-14)22(27)20-21(19-5-3-9-31-19)26(24(29)23(20)28)13-15-4-2-8-25-12-15/h2-9,11-12,14,20-21H,10,13H2,1H3/t14-,20-,21+/m0/s1
赞助商链接
推荐专业资料
赞助商链接}