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ZINC00928230,ASN 04370856,4-[5-(2-Fluoro-phenyl)-[1,3,4]oxadiazol-2-yl

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摘 要:ZINC00928230,ASN 04370856,4-[5-(2-Fluoro-phenyl)-[1,3,4]oxadiazol-2-ylsulfanylmethyl]-1H-quinolin-2-one, 4-[[5-(2-fluorophenyl)-1,3,,4-oxadiazol-2-yl]sulfanylmethyl]-1H-quinolin-2-one,Canonical SMILES: C1=CC=C2C(=C1)C(=CC(=O)N2)CSC3=NN=C(O3)C4=CC=CC=
[Synonyms]
ZINC00928230
ASN 04370856
4-[5-(2-Fluoro-phenyl)-[1,3,4]oxadiazol-2-ylsulfanylmethyl]-1H-quinolin-2-one

[Structure]
ZINC00928230,ASN 04370856,4-[5-(2-Fluoro-phenyl)-[1,3,4]oxadiazol-2-yl

[ Properties Computed from Structure]
Molecular Weight353.370183 [g/mol]
Molecular FormulaC18H12FN3O2S
XLogP4.4
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count4
Tautomer Count2
Exact Mass353.063426
MonoIsotopic Mass353.063426
Topological Polar Surface Area68
Heavy Atom Count25
Formal Charge0
Complexity533
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: 4-[[5-(2-fluorophenyl)-1,3,
4-oxadiazol-2-yl]sulfanylmethyl]-1H-quinolin-2-one
Canonical SMILES: C1=CC=C2C(=C1)C(=CC(=O)N2)CSC3=NN=C(O3)C4=CC=CC=C4F
InChI: InChI=1/C18H12FN3O2S/c19-14-7-3-1-6-13(14)17-21-22-18(24-17)25-10-11-9-
16(23)20-15-8-4-2-5-12(11)15/h1-9H,10H2,(H,20,23)/f/h20H

 
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