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Oprea1_316239,Oprea1_462398,ZINC00881018,ASN 03431370,N-[4-(2,5-Dimeth

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摘 要:Oprea1_316239,Oprea1_462398,ZINC00881018,ASN 03431370,N-[4-(2,5-Dimethoxy-phenyl)-thiazol-2-yl]-N-ethyl-2-fluoro-benzamide, N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethyl-2-fluorobenzamide,Canonical SMILES: CCN(C1=NC(=CS1)C2=C(C=CC(=C2)OC)OC)C(
[Synonyms]
Oprea1_316239
Oprea1_462398
ZINC00881018
ASN 03431370
N-[4-(2,5-Dimethoxy-phenyl)-thiazol-2-yl]-N-ethyl-2-fluoro-benzamide

[Structure]
Oprea1_316239,Oprea1_462398,ZINC00881018,ASN 03431370,N-[4-(2,5-Dimeth

[ Properties Computed from Structure]
Molecular Weight386.439863 [g/mol]
Molecular FormulaC20H19FN2O3S
XLogP4.4
H-Bond Donor0
H-Bond Acceptor5
Rotatable Bond Count6
Exact Mass386.110041
MonoIsotopic Mass386.110041
Topological Polar Surface Area51.7
Heavy Atom Count27
Formal Charge0
Complexity498
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-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethyl-2-fluorobenzamide
Canonical SMILES: CCN(C1=NC(=CS1)C2=C(C=CC(=C2)OC)OC)C(=O)C3=CC=CC=C3F
InChI: InChI=1/C20H19FN2O3S/c1-4-23(19(24)14-7-5-6-8-16(14)21)20-22-17(12-27-
20)15-11-13(25-2)9-10-18(15)26-3/h5-12H,4H2,1-3H3

 
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