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Oprea1_273654,MLS001165382,STOCK2S-84891,ZINC00520162,SMR000540013, N-

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摘 要:Oprea1_273654,MLS001165382,STOCK2S-84891,ZINC00520162,SMR000540013, N-(4-fluorophenyl)-2-(2-methylquinolin-8-yl)sulfanylacetamide,Canonical SMILES: CC1=NC2=C(C=CC=C2SCC(=O)NC3=CC=C(C=C3)F)C=C1,InChI: InChI=1/C18H15FN2OS/c1-12-5-6-13-3-2-4-16(18(13)20
[Synonyms]
Oprea1_273654
MLS001165382
STOCK2S-84891
ZINC00520162
SMR000540013

[Structure]
Oprea1_273654,MLS001165382,STOCK2S-84891,ZINC00520162,SMR000540013, N-

[ Properties Computed from Structure]
Molecular Weight326.387903 [g/mol]
Molecular FormulaC18H15FN2OS
XLogP3.8
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count4
Tautomer Count2
Exact Mass326.088912
MonoIsotopic Mass326.088912
Topological Polar Surface Area42
Heavy Atom Count23
Formal Charge0
Complexity401
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-fluorophenyl)-2-(2-methylquinolin-8-yl)sulfanylacetamide
Canonical SMILES: CC1=NC2=C(C=CC=C2SCC(=O)NC3=CC=C(C=C3)F)C=C1
InChI: InChI=1/C18H15FN2OS/c1-12-5-6-13-3-2-4-16(18(13)20-12)23-11-17(22)21-15-
9-7-14(19)8-10-15/h2-10H,11H2,1H3,(H,21,22)/f/h21H

 
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