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ZINC00932624,BAS 04456838,N-Ethyl-3-fluoro-N-(4-phenyl-thiazol-2-yl)-b

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摘 要:ZINC00932624,BAS 04456838,N-Ethyl-3-fluoro-N-(4-phenyl-thiazol-2-yl)-benzamide, N-ethyl-3-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide,Canonical SMILES: CCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)F,InChI: InChI=1/C18H15FN2OS/c1-2-21(17(22)14-9-6-1
[Synonyms]
ZINC00932624
BAS 04456838
N-Ethyl-3-fluoro-N-(4-phenyl-thiazol-2-yl)-benzamide

[Structure]
ZINC00932624,BAS 04456838,N-Ethyl-3-fluoro-N-(4-phenyl-thiazol-2-yl)-b

[ Properties Computed from Structure]
Molecular Weight326.387903 [g/mol]
Molecular FormulaC18H15FN2OS
XLogP4.6
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count4
Exact Mass326.088912
MonoIsotopic Mass326.088912
Topological Polar Surface Area33.2
Heavy Atom Count23
Formal Charge0
Complexity403
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-ethyl-3-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
Canonical SMILES: CCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)F
InChI: InChI=1/C18H15FN2OS/c1-2-21(17(22)14-9-6-10-15(19)11-14)18-20-16(12-23-
18)13-7-4-3-5-8-13/h3-12H,2H2,1H3

 
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