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ZINC03579070 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(thiophen-2-

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摘 要:ZINC03579070 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl),acetamide,Canonical SMILES: CC1=CC(=C(C=C1Cl)C(C)C)OCC(=O)NCC2=CC=CS2,InChI: InChI=1/C17H20ClNO2S/c1-11(2)14-8-15(18)12(3)7-16(14)21-10-17(20)19-9-,13-5-4-6-22-13/h4-8,11
[Synonyms]
ZINC03579070
[Structure]
ZINC03579070 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(thiophen-2-

[ Properties Computed from Structure]
Molecular Weight337.8642 [g/mol]
Molecular FormulaC17H20ClNO2S
XLogP3.9
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count6
Tautomer Count2
Exact Mass337.090327
MonoIsotopic Mass337.090327
Topological Polar Surface Area38.3
Heavy Atom Count22
Formal Charge0
Complexity367
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: 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)
acetamide
Canonical SMILES: CC1=CC(=C(C=C1Cl)C(C)C)OCC(=O)NCC2=CC=CS2
InChI: InChI=1/C17H20ClNO2S/c1-11(2)14-8-15(18)12(3)7-16(14)21-10-17(20)19-9-
13-5-4-6-22-13/h4-8,11H,9-10H2,1-3H3,(H,19,20)/f/h19H

 
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