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3-[(3-hydroxy-4-methylphenyl)amino]-4-(4-methylphenyl)sulfanyl-1-,(ph

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摘 要: 3-[(3-hydroxy-4-methylphenyl)amino]-4-(4-methylphenyl)sulfanyl-1-,(phenylmethyl)pyrrole-2,5-dione,Canonical SMILES: CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)NC4=CC(=C(C=C4)C)O,InChI: InChI=1/C25H22N2O3S/c1-16-8-12-20(13-9-16)31-23-22(26-19-11-10
[Synonyms]

[Structure]
 3-[(3-hydroxy-4-methylphenyl)amino]-4-(4-methylphenyl)sulfanyl-1-,(ph

[ Properties Computed from Structure]
Molecular Weight430.51878 [g/mol]
Molecular FormulaC25H22N2O3S
XLogP5.5
H-Bond Donor2
H-Bond Acceptor4
Rotatable Bond Count6
Tautomer Count17
Exact Mass430.135113
MonoIsotopic Mass430.135113
Topological Polar Surface Area69.6
Heavy Atom Count31
Formal Charge0
Complexity695
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 3-[(3-hydroxy-4-methylphenyl)amino]-4-(4-methylphenyl)sulfanyl-1-
(phenylmethyl)pyrrole-2,5-dione
Canonical SMILES: CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)NC4=CC(=C(C=C4)C)O
InChI: InChI=1/C25H22N2O3S/c1-16-8-12-20(13-9-16)31-23-22(26-19-11-10-17(2)21
(28)14-19)24(29)27(25(23)30)15-18-6-4-3-5-7-18/h3-14,26,28H,15H2,1-2H3

 
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