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ZINC00882047,BAS 03572191,Thiophene-2-carboxylic acid ethyl-(4-phenyl-

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摘 要:ZINC00882047,BAS 03572191,Thiophene-2-carboxylic acid ethyl-(4-phenyl-thiazol-2-yl)-amide, N-ethyl-N-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide,Canonical SMILES: CCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)C3=CC=CS3,InChI: InChI=1/C16H14N2OS2/c1-2-18(15(
[Synonyms]
ZINC00882047
BAS 03572191
Thiophene-2-carboxylic acid ethyl-(4-phenyl-thiazol-2-yl)-amide

[Structure]
ZINC00882047,BAS 03572191,Thiophene-2-carboxylic acid ethyl-(4-phenyl-

[ Properties Computed from Structure]
Molecular Weight314.42516 [g/mol]
Molecular FormulaC16H14N2OS2
XLogP3.4
H-Bond Donor0
H-Bond Acceptor2
Rotatable Bond Count4
Exact Mass314.054754
MonoIsotopic Mass314.054754
Topological Polar Surface Area33.2
Heavy Atom Count21
Formal Charge0
Complexity360
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-N-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
Canonical SMILES: CCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)C3=CC=CS3
InChI: InChI=1/C16H14N2OS2/c1-2-18(15(19)14-9-6-10-20-14)16-17-13(11-21-16)12-
7-4-3-5-8-12/h3-11H,2H2,1H3

 
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