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ZINC00882086,ASN 03572325,2-Fluoro-N-phenethyl-N-(4-phenyl-thiazol-2-y

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摘 要:ZINC00882086,ASN 03572325,2-Fluoro-N-phenethyl-N-(4-phenyl-thiazol-2-yl)-benzamide, 2-fluoro-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide,Canonical SMILES: C1=CC=C(C=C1)CCN(C2=NC(=CS2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4F,InChI: InChI=1/C24H19FN2
[Synonyms]
ZINC00882086
ASN 03572325
2-Fluoro-N-phenethyl-N-(4-phenyl-thiazol-2-yl)-benzamide

[Structure]
ZINC00882086,ASN 03572325,2-Fluoro-N-phenethyl-N-(4-phenyl-thiazol-2-y

[ Properties Computed from Structure]
Molecular Weight402.483863 [g/mol]
Molecular FormulaC24H19FN2OS
XLogP6
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count6
Exact Mass402.120212
MonoIsotopic Mass402.120212
Topological Polar Surface Area33.2
Heavy Atom Count29
Formal Charge0
Complexity521
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: 2-fluoro-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
Canonical SMILES: C1=CC=C(C=C1)CCN(C2=NC(=CS2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4F
InChI: InChI=1/C24H19FN2OS/c25-21-14-8-7-13-20(21)23(28)27(16-15-18-9-3-1-4-10-
18)24-26-22(17-29-24)19-11-5-2-6-12-19/h1-14,17H,15-16H2

 
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