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ZINC00932662,BAS 04457198,Furan-2-carboxylic acid ethyl-(4-p-tolyl-thi

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摘 要:ZINC00932662,BAS 04457198,Furan-2-carboxylic acid ethyl-(4-p-tolyl-thiazol-2-yl)-amide, N-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide,Canonical SMILES: CCN(C1=NC(=CS1)C2=CC=C(C=C2)C)C(=O)C3=CC=CO3,InChI: InChI=1/C17H16N2O2S/c1-3-
[Synonyms]
ZINC00932662
BAS 04457198
Furan-2-carboxylic acid ethyl-(4-p-tolyl-thiazol-2-yl)-amide

[Structure]
ZINC00932662,BAS 04457198,Furan-2-carboxylic acid ethyl-(4-p-tolyl-thi

[ Properties Computed from Structure]
Molecular Weight312.38614 [g/mol]
Molecular FormulaC17H16N2O2S
XLogP3.5
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count4
Exact Mass312.093248
MonoIsotopic Mass312.093248
Topological Polar Surface Area46.3
Heavy Atom Count22
Formal Charge0
Complexity385
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-(4-methylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
Canonical SMILES: CCN(C1=NC(=CS1)C2=CC=C(C=C2)C)C(=O)C3=CC=CO3
InChI: InChI=1/C17H16N2O2S/c1-3-19(16(20)15-5-4-10-21-15)17-18-14(11-22-17)13-
8-6-12(2)7-9-13/h4-11H,3H2,1-2H3

 
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