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Oprea1_640509,STK112638,ZINC00917747,BAS 03596702, N-[3-[[2-(4-methoxy

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摘 要:Oprea1_640509,STK112638,ZINC00917747,BAS 03596702, N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide,Canonical SMILES: COC1=CC=C(C=C1)OCC(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CS3,InChI: InChI=1/C20H18N2O4S/c1-25-16-7-9-17(10-8-16)26-13-1
[Synonyms]
Oprea1_640509
STK112638
ZINC00917747
BAS 03596702

[Structure]
Oprea1_640509,STK112638,ZINC00917747,BAS 03596702, N-[3-[[2-(4-methoxy

[ Properties Computed from Structure]
Molecular Weight382.43292 [g/mol]
Molecular FormulaC20H18N2O4S
XLogP2.6
H-Bond Donor2
H-Bond Acceptor4
Rotatable Bond Count7
Tautomer Count4
Exact Mass382.098728
MonoIsotopic Mass382.098728
Topological Polar Surface Area76.7
Heavy Atom Count27
Formal Charge0
Complexity496
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-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
Canonical SMILES: COC1=CC=C(C=C1)OCC(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CS3
InChI: InChI=1/C20H18N2O4S/c1-25-16-7-9-17(10-8-16)26-13-19(23)21-14-4-2-5-15
(12-14)22-20(24)18-6-3-11-27-18/h2-12H,13H2,1H3,(H,21,23)(H,22,
24)/f/h21-22H

 
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