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Oprea1_455579,Oprea1_534132,ZINC00882623,BAS 02827740,N-(2-Fluoro-phen

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摘 要:Oprea1_455579,Oprea1_534132,ZINC00882623,BAS 02827740,N-(2-Fluoro-phenyl)-2-[(4-isopropyl-phenyl)-methanesulfonyl-amino]-acetamide, N-(2-fluorophenyl)-2-[methylsulfonyl-(4-propan-2-ylphenyl)amino],acetamide,Canonical SMILES: CC(C)C1=CC=C(C=C1)N(CC(=O
[Synonyms]
Oprea1_455579
Oprea1_534132
ZINC00882623
BAS 02827740
N-(2-Fluoro-phenyl)-2-[(4-isopropyl-phenyl)-methanesulfonyl-amino]-acetamide

[Structure]
Oprea1_455579,Oprea1_534132,ZINC00882623,BAS 02827740,N-(2-Fluoro-phen

[ Properties Computed from Structure]
Molecular Weight364.434343 [g/mol]
Molecular FormulaC18H21FN2O3S
XLogP4.1
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count6
Tautomer Count2
Exact Mass364.125691
MonoIsotopic Mass364.125691
Topological Polar Surface Area66.5
Heavy Atom Count25
Formal Charge0
Complexity539
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-(2-fluorophenyl)-2-[methylsulfonyl-(4-propan-2-ylphenyl)amino]
acetamide
Canonical SMILES: CC(C)C1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2F)S(=O)(=O)C
InChI: InChI=1/C18H21FN2O3S/c1-13(2)14-8-10-15(11-9-14)21(25(3,
23)24)12-18(22)20-17-7-5-4-6-16(17)19/h4-11,13H,12H2,1-3H3,(H,20,
22)/f/h20H

 
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