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Bionet1_000974,11G-305S, N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(trifl

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摘 要:Bionet1_000974,11G-305S, N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(trifluoromethyl)benzamide,Canonical SMILES: CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)C(F)(F)F,InChI: InChI=1/C19H20F3N3O/c1-24-9-11-25(12-10-24)17-7-5-16(6-8-17)23-18(26)14-,3-2-4-15(
[Synonyms]
Bionet1_000974
11G-305S

[Structure]
Bionet1_000974,11G-305S, N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(trifl

[ Properties Computed from Structure]
Molecular Weight363.37681 [g/mol]
Molecular FormulaC19H20F3N3O
XLogP3.8
H-Bond Donor1
H-Bond Acceptor6
Rotatable Bond Count3
Tautomer Count2
Exact Mass363.155847
MonoIsotopic Mass363.155847
Topological Polar Surface Area35.6
Heavy Atom Count26
Formal Charge0
Complexity469
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-[4-(4-methylpiperazin-1-yl)phenyl]-3-(trifluoromethyl)benzamide
Canonical SMILES: CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)C(F)(F)F
InChI: InChI=1/C19H20F3N3O/c1-24-9-11-25(12-10-24)17-7-5-16(6-8-17)23-18(26)14-
3-2-4-15(13-14)19(20,21)22/h2-8,13H,9-12H2,1H3,(H,23,26)/f/h23H

 
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