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Oprea1_583276,ZINC00648334,IVK/1009476,AK-968/41018225, ethyl,2-[[2-(2

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摘 要:Oprea1_583276,ZINC00648334,IVK/1009476,AK-968/41018225, ethyl,2-[[2-(2,6-dichlorophenyl)acetyl]amino]-5-ethylthiophene-3-carboxylate,Canonical SMILES: CCC1=CC(=C(S1)NC(=O)CC2=C(C=CC=C2Cl)Cl)C(=O)OCC,InChI: InChI=1/C17H17Cl2NO3S/c1-3-10-8-12(17(22)23-
[Synonyms]
Oprea1_583276
ZINC00648334
IVK/1009476
AK-968/41018225

[Structure]
Oprea1_583276,ZINC00648334,IVK/1009476,AK-968/41018225, ethyl,2-[[2-(2

[ Properties Computed from Structure]
Molecular Weight386.29278 [g/mol]
Molecular FormulaC17H17Cl2NO3S
XLogP4.3
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count7
Tautomer Count4
Exact Mass385.03062
MonoIsotopic Mass385.03062
Topological Polar Surface Area55.4
Heavy Atom Count24
Formal Charge0
Complexity442
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: ethyl
2-[[2-(2,6-dichlorophenyl)acetyl]amino]-5-ethylthiophene-3-carboxylate
Canonical SMILES: CCC1=CC(=C(S1)NC(=O)CC2=C(C=CC=C2Cl)Cl)C(=O)OCC
InChI: InChI=1/C17H17Cl2NO3S/c1-3-10-8-12(17(22)23-4-2)16(24-10)20-15(21)9-11-
13(18)6-5-7-14(11)19/h5-8H,3-4,9H2,1-2H3,(H,20,21)/f/h20H

 
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