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N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-[3-(trifluoromethyl)pheny

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摘 要: N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl],methanesulfonamide,Canonical SMILES: CN1CCN(CC1)C(=O)CN(C2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C,InChI: InChI=1/C15H20F3N3O3S/c1-19-6-8-20(9-7-19)14(22)11-21(25(2,,23)24)13-5-3-4-12(10-
[Synonyms]

[Structure]
 N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-[3-(trifluoromethyl)pheny

[ Properties Computed from Structure]
Molecular Weight379.39781 [g/mol]
Molecular FormulaC15H20F3N3O3S
XLogP1.7
H-Bond Donor0
H-Bond Acceptor8
Rotatable Bond Count4
Exact Mass379.117747
MonoIsotopic Mass379.117747
Topological Polar Surface Area60.9
Heavy Atom Count25
Formal Charge0
Complexity569
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-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]
methanesulfonamide
Canonical SMILES: CN1CCN(CC1)C(=O)CN(C2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C
InChI: InChI=1/C15H20F3N3O3S/c1-19-6-8-20(9-7-19)14(22)11-21(25(2,
23)24)13-5-3-4-12(10-13)15(16,17)18/h3-5,10H,6-9,11H2,1-2H3

 
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