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Oprea1_154166,STK047287,ZINC00920176,NCGC00099137-01,BAS 03631909,EU-0

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摘 要:Oprea1_154166,STK047287,ZINC00920176,NCGC00099137-01,BAS 03631909,EU-0041564,Thiophene-2-carboxylic acid [4-(2-methoxy-benzoylamino)-phenyl]-amide, N-[4-[(2-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide,Canonical SMILES: COC1=CC=CC=C1C(=O)NC2=C
[Synonyms]
Oprea1_154166
STK047287
ZINC00920176
NCGC00099137-01
BAS 03631909
EU-0041564
Thiophene-2-carboxylic acid [4-(2-methoxy-benzoylamino)-phenyl]-amide

[Structure]
Oprea1_154166,STK047287,ZINC00920176,NCGC00099137-01,BAS 03631909,EU-0

[ Properties Computed from Structure]
Molecular Weight352.40694 [g/mol]
Molecular FormulaC19H16N2O3S
XLogP2.5
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count5
Tautomer Count4
Exact Mass352.088163
MonoIsotopic Mass352.088163
Topological Polar Surface Area67.4
Heavy Atom Count25
Formal Charge0
Complexity466
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-[4-[(2-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
Canonical SMILES: COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3
InChI: InChI=1/C19H16N2O3S/c1-24-16-6-3-2-5-15(16)18(22)20-13-8-10-14(11-9-13)
21-19(23)17-7-4-12-25-17/h2-12H,1H3,(H,20,22)(H,21,23)/f/h20-21H

 
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