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ZINC02867886,IVK/4001756, 2-(2-chlorophenyl)-8-methyl-N-(2,3,4,5,,6-pe

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摘 要:ZINC02867886,IVK/4001756, 2-(2-chlorophenyl)-8-methyl-N-(2,3,4,5,,6-pentafluorophenyl)quinoline-4-carboxamide,Canonical SMILES: CC1=CC=CC2=C1N=C(C=C2C(=O)NC3=C(C(=C(C(=C3F)F)F)F)F)C4=CC=CC=C4Cl,InChI: InChI=1/C23H12ClF5N2O/c1-10-5-4-7-11-13(9-15(30-2
[Synonyms]
ZINC02867886
IVK/4001756

[Structure]
ZINC02867886,IVK/4001756, 2-(2-chlorophenyl)-8-methyl-N-(2,3,4,5,,6-pe

[ Properties Computed from Structure]
Molecular Weight462.799196 [g/mol]
Molecular FormulaC23H12ClF5N2O
XLogP6.8
H-Bond Donor1
H-Bond Acceptor7
Rotatable Bond Count3
Tautomer Count2
Exact Mass462.055832
MonoIsotopic Mass462.055832
Topological Polar Surface Area42
Heavy Atom Count32
Formal Charge0
Complexity658
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: 2-(2-chlorophenyl)-8-methyl-N-(2,3,4,5,
6-pentafluorophenyl)quinoline-4-carboxamide
Canonical SMILES: CC1=CC=CC2=C1N=C(C=C2C(=O)NC3=C(C(=C(C(=C3F)F)F)F)F)C4=CC=CC=C4Cl
InChI: InChI=1/C23H12ClF5N2O/c1-10-5-4-7-11-13(9-15(30-21(10)11)12-6-2-3-8-14
(12)24)23(32)31-22-19(28)17(26)16(25)18(27)20(22)29/h2-9H,1H3,(H,31,
32)/f/h31H

 
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