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Oprea1_471145,ZINC00880981,ASN 03431267,Cyclohexanecarboxylic acid [4-

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摘 要:Oprea1_471145,ZINC00880981,ASN 03431267,Cyclohexanecarboxylic acid [4-(2,5-dimethoxy-phenyl)-thiazol-2-yl]-methyl-amide, N-[4-(2,5-dimethoxyphenyl)-1,,3-thiazol-2-yl]-N-methylcyclohexanecarboxamide,Canonical SMILES: CN(C1=NC(=CS1)C2=C(C=CC(=C2)OC)OC)
[Synonyms]
Oprea1_471145
ZINC00880981
ASN 03431267
Cyclohexanecarboxylic acid [4-(2,5-dimethoxy-phenyl)-thiazol-2-yl]-methyl-amide

[Structure]
Oprea1_471145,ZINC00880981,ASN 03431267,Cyclohexanecarboxylic acid [4-

[ Properties Computed from Structure]
Molecular Weight360.47046 [g/mol]
Molecular FormulaC19H24N2O3S
XLogP4
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count5
Exact Mass360.150763
MonoIsotopic Mass360.150763
Topological Polar Surface Area51.7
Heavy Atom Count25
Formal Charge0
Complexity444
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-(2,5-dimethoxyphenyl)-1,
3-thiazol-2-yl]-N-methylcyclohexanecarboxamide
Canonical SMILES: CN(C1=NC(=CS1)C2=C(C=CC(=C2)OC)OC)C(=O)C3CCCCC3
InChI: InChI=1/C19H24N2O3S/c1-21(18(22)13-7-5-4-6-8-13)19-20-16(12-25-19)15-11-
14(23-2)9-10-17(15)24-3/h9-13H,4-8H2,1-3H3

 
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