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ZINC00929105,ASN 03269827,Cyclohexanecarboxylic acid [4-(4-methoxy-phe

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摘 要:ZINC00929105,ASN 03269827,Cyclohexanecarboxylic acid [4-(4-methoxy-phenyl)-thiazol-2-yl]-phenethyl-amide, N-[4-(4-methoxyphenyl)-1,,3-thiazol-2-yl]-N-(2-phenylethyl)cyclohexanecarboxamide,Canonical SMILES: COC1=CC=C(C=C1)C2=CSC(=N2)N(CCC3=CC=CC=C3)C(
[Synonyms]
ZINC00929105
ASN 03269827
Cyclohexanecarboxylic acid [4-(4-methoxy-phenyl)-thiazol-2-yl]-phenethyl-amide

[Structure]
ZINC00929105,ASN 03269827,Cyclohexanecarboxylic acid [4-(4-methoxy-phe

[ Properties Computed from Structure]
Molecular Weight420.56702 [g/mol]
Molecular FormulaC25H28N2O2S
XLogP6
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count7
Exact Mass420.187149
MonoIsotopic Mass420.187149
Topological Polar Surface Area42.4
Heavy Atom Count30
Formal Charge0
Complexity525
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-(4-methoxyphenyl)-1,
3-thiazol-2-yl]-N-(2-phenylethyl)cyclohexanecarboxamide
Canonical SMILES: COC1=CC=C(C=C1)C2=CSC(=N2)N(CCC3=CC=CC=C3)C(=O)C4CCCCC4
InChI: InChI=1/C25H28N2O2S/c1-29-22-14-12-20(13-15-22)23-18-30-25(26-23)27(17-
16-19-8-4-2-5-9-19)24(28)21-10-6-3-7-11-21/h2,4-5,8-9,12-15,18,21H,3,
6-7,10-11,16-17H2,1H3

 
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