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ZINC02861426,AQ-750/42210450, N-(2-methoxyethyl)-4-[[[3-(trifluorometh

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摘 要:ZINC02861426,AQ-750/42210450, N-(2-methoxyethyl)-4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl],benzamide,Canonical SMILES: COCCNC(=O)C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F,InChI: InChI=1/C18H19F3N2O4S/c1-27-10-9-22-17(24)14-7-5-13(6-8-1
[Synonyms]
ZINC02861426
AQ-750/42210450

[Structure]
ZINC02861426,AQ-750/42210450, N-(2-methoxyethyl)-4-[[[3-(trifluorometh

[ Properties Computed from Structure]
Molecular Weight416.41467 [g/mol]
Molecular FormulaC18H19F3N2O4S
XLogP2.7
H-Bond Donor2
H-Bond Acceptor8
Rotatable Bond Count8
Tautomer Count2
Exact Mass416.101762
MonoIsotopic Mass416.101762
Topological Polar Surface Area84.5
Heavy Atom Count28
Formal Charge0
Complexity599
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-methoxyethyl)-4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]
benzamide
Canonical SMILES: COCCNC(=O)C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F
InChI: InChI=1/C18H19F3N2O4S/c1-27-10-9-22-17(24)14-7-5-13(6-8-14)12-23-28(25,
26)16-4-2-3-15(11-16)18(19,20)21/h2-8,11,23H,9-10,12H2,1H3,(H,22,
24)/f/h22H

 
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