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Oprea1_301347,Oprea1_862956,ZINC00881295,BAS 02813170,2-[Benzyl-(4-met

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摘 要:Oprea1_301347,Oprea1_862956,ZINC00881295,BAS 02813170,2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-cyclopropyl-benzamide, N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]benzamide,Canonical SMILES: COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC
[Synonyms]
Oprea1_301347
Oprea1_862956
ZINC00881295
BAS 02813170
2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-cyclopropyl-benzamide

[Structure]
Oprea1_301347,Oprea1_862956,ZINC00881295,BAS 02813170,2-[Benzyl-(4-met

[ Properties Computed from Structure]
Molecular Weight436.52336 [g/mol]
Molecular FormulaC24H24N2O4S
XLogP4.9
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count8
Tautomer Count2
Exact Mass436.145678
MonoIsotopic Mass436.145678
Topological Polar Surface Area75.7
Heavy Atom Count31
Formal Charge0
Complexity689
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: N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]benzamide
Canonical SMILES: COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3C(=O)NC4CC4
InChI: InChI=1/C24H24N2O4S/c1-30-20-13-15-21(16-14-20)31(28,
29)26(17-18-7-3-2-4-8-18)23-10-6-5-9-22(23)24(27)25-19-11-12-19/h2-10,
13-16,19H,11-12,17H2,1H3,(H,25,27)/f/h25H

 
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