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ZINC00882079,ASN 03572287,N-Phenethyl-N-(4-phenyl-thiazol-2-yl)-propio

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摘 要:ZINC00882079,ASN 03572287,N-Phenethyl-N-(4-phenyl-thiazol-2-yl)-propionamide, N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide,Canonical SMILES: CCC(=O)N(CCC1=CC=CC=C1)C2=NC(=CS2)C3=CC=CC=C3,InChI: InChI=1/C20H20N2OS/c1-2-19(23)22(14-13-16-
[Synonyms]
ZINC00882079
ASN 03572287
N-Phenethyl-N-(4-phenyl-thiazol-2-yl)-propionamide

[Structure]
ZINC00882079,ASN 03572287,N-Phenethyl-N-(4-phenyl-thiazol-2-yl)-propio

[ Properties Computed from Structure]
Molecular Weight336.4506 [g/mol]
Molecular FormulaC20H20N2OS
XLogP4.4
H-Bond Donor0
H-Bond Acceptor2
Rotatable Bond Count6
Exact Mass336.129634
MonoIsotopic Mass336.129634
Topological Polar Surface Area33.2
Heavy Atom Count24
Formal Charge0
Complexity391
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-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
Canonical SMILES: CCC(=O)N(CCC1=CC=CC=C1)C2=NC(=CS2)C3=CC=CC=C3
InChI: InChI=1/C20H20N2OS/c1-2-19(23)22(14-13-16-9-5-3-6-10-16)20-21-18(15-24-
20)17-11-7-4-8-12-17/h3-12,15H,2,13-14H2,1H3

 
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