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ZINC00643364,AO-080/41816199, N-(2,4-dimethoxyphenyl)-N-(5-methyl-4-ph

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摘 要:ZINC00643364,AO-080/41816199, N-(2,4-dimethoxyphenyl)-N-(5-methyl-4-phenyl-1,,3-thiazol-2-yl)cyclohexanecarboxamide,Canonical SMILES: CC1=C(N=C(S1)N(C2=C(C=C(C=C2)OC)OC)C(=O)C3CCCCC3)C4=CC=CC=C4,InChI: InChI=1/C25H28N2O3S/c1-17-23(18-10-6-4-7-11-18)2
[Synonyms]
ZINC00643364
AO-080/41816199

[Structure]
ZINC00643364,AO-080/41816199, N-(2,4-dimethoxyphenyl)-N-(5-methyl-4-ph

[ Properties Computed from Structure]
Molecular Weight436.56642 [g/mol]
Molecular FormulaC25H28N2O3S
XLogP5.4
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count6
Exact Mass436.182063
MonoIsotopic Mass436.182063
Topological Polar Surface Area51.7
Heavy Atom Count31
Formal Charge0
Complexity579
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-(2,4-dimethoxyphenyl)-N-(5-methyl-4-phenyl-1,
3-thiazol-2-yl)cyclohexanecarboxamide
Canonical SMILES: CC1=C(N=C(S1)N(C2=C(C=C(C=C2)OC)OC)C(=O)C3CCCCC3)C4=CC=CC=C4
InChI: InChI=1/C25H28N2O3S/c1-17-23(18-10-6-4-7-11-18)26-25(31-17)27(24(28)19-
12-8-5-9-13-19)21-15-14-20(29-2)16-22(21)30-3/h4,6-7,10-11,14-16,19H,5,
8-9,12-13H2,1-3H3

 
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