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ZINC00937352 N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,2-di(phenyl)acet

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摘 要:ZINC00937352 N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,2-di(phenyl)acetamide,Canonical SMILES: CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4,InChI: InChI=1/C25H22N2OS/c1-2-18-13-15-19(16-14-18)22-17-29-25(26-22)27-24(28),23(20-9-5-3-6-10-2
[Synonyms]
ZINC00937352
[Structure]
ZINC00937352 N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,2-di(phenyl)acet

[ Properties Computed from Structure]
Molecular Weight398.51998 [g/mol]
Molecular FormulaC25H22N2OS
XLogP6.2
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count6
Tautomer Count3
Exact Mass398.145284
MonoIsotopic Mass398.145284
Topological Polar Surface Area42
Heavy Atom Count29
Formal Charge0
Complexity489
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-ethylphenyl)-1,3-thiazol-2-yl]-2,2-di(phenyl)acetamide
Canonical SMILES: CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1/C25H22N2OS/c1-2-18-13-15-19(16-14-18)22-17-29-25(26-22)27-24(28)
23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-17,23H,2H2,1H3,(H,26,27,
28)/f/h27H

 
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