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ST5206886 N-(2-chlorophenyl)-4-[2-[[2-chloro-5-(trifluoromethyl)phenyl

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摘 要:ST5206886 N-(2-chlorophenyl)-4-[2-[[2-chloro-5-(trifluoromethyl)phenyl]amino]-2-,oxoethoxy]benzamide,Canonical SMILES: C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)OCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)Cl,InChI: InChI=1/C22H15Cl2F3N2O3/c23-16-3-1-2-4-18(16)29-21(31)
[Synonyms]
ST5206886
[Structure]
ST5206886 N-(2-chlorophenyl)-4-[2-[[2-chloro-5-(trifluoromethyl)phenyl

[ Properties Computed from Structure]
Molecular Weight483.26731 [g/mol]
Molecular FormulaC22H15Cl2F3N2O3
XLogP5.8
H-Bond Donor2
H-Bond Acceptor6
Rotatable Bond Count6
Tautomer Count4
Exact Mass482.041182
MonoIsotopic Mass482.041182
Topological Polar Surface Area67.4
Heavy Atom Count32
Formal Charge0
Complexity644
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-chlorophenyl)-4-[2-[[2-chloro-5-(trifluoromethyl)phenyl]amino]-2-
oxoethoxy]benzamide
Canonical SMILES: C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)OCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)Cl
InChI: InChI=1/C22H15Cl2F3N2O3/c23-16-3-1-2-4-18(16)29-21(31)13-5-8-15(9-6-13)
32-12-20(30)28-19-11-14(22(25,26)27)7-10-17(19)24/h1-11H,12H2,(H,28,
30)(H,29,31)/f/h28-29H

 
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