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ZINC00932668,ASN 04457208,Cyclohexanecarboxylic acid benzyl-(4-p-tolyl

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摘 要:ZINC00932668,ASN 04457208,Cyclohexanecarboxylic acid benzyl-(4-p-tolyl-thiazol-2-yl)-amide, N-[4-(4-methylphenyl)-1,,3-thiazol-2-yl]-N-(phenylmethyl)cyclohexanecarboxamide,Canonical SMILES: CC1=CC=C(C=C1)C2=CSC(=N2)N(CC3=CC=CC=C3)C(=O)C4CCCCC4,InChI:
[Synonyms]
ZINC00932668
ASN 04457208
Cyclohexanecarboxylic acid benzyl-(4-p-tolyl-thiazol-2-yl)-amide

[Structure]
ZINC00932668,ASN 04457208,Cyclohexanecarboxylic acid benzyl-(4-p-tolyl

[ Properties Computed from Structure]
Molecular Weight390.54104 [g/mol]
Molecular FormulaC24H26N2OS
XLogP6.3
H-Bond Donor0
H-Bond Acceptor2
Rotatable Bond Count5
Exact Mass390.176584
MonoIsotopic Mass390.176584
Topological Polar Surface Area33.2
Heavy Atom Count28
Formal Charge0
Complexity493
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-methylphenyl)-1,
3-thiazol-2-yl]-N-(phenylmethyl)cyclohexanecarboxamide
Canonical SMILES: CC1=CC=C(C=C1)C2=CSC(=N2)N(CC3=CC=CC=C3)C(=O)C4CCCCC4
InChI: InChI=1/C24H26N2OS/c1-18-12-14-20(15-13-18)22-17-28-24(25-22)26(16-19-8-
4-2-5-9-19)23(27)21-10-6-3-7-11-21/h2,4-5,8-9,12-15,17,21H,3,6-7,10-11,
16H2,1H3

 
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