ChemSpider 2D Image | 4-[3-(2,5-Dimethylbenzyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]-N-[4-(trifluoromethyl)phenyl]-1-piperidinecarboxamide | C26H26F3N7O2

4-[3-(2,5-Dimethylbenzyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]-N-[4-(trifluoromethyl)phenyl]-1-piperidinecarboxamide

  • Molecular FormulaC26H26F3N7O2
  • Average mass525.526 Da
  • Monoisotopic mass525.210022 Da
  • ChemSpider ID17901460

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Piperidinecarboxamide, 4-[3-[(2,5-dimethylphenyl)methyl]-7-hydroxy-3H-1,2,3-triazolo[4,5-d]pyrimidin-5-yl]-N-[4-(trifluoromethyl)phenyl]- [ACD/Index Name]
4-[3-(2,5-Dimethylbenzyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]-N-[4-(trifluormethyl)phenyl]-1-piperidincarboxamid [German] [ACD/IUPAC Name]
4-[3-(2,5-Dimethylbenzyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]-N-[4-(trifluoromethyl)phenyl]-1-piperidinecarboxamide [ACD/IUPAC Name]
4-[3-(2,5-Diméthylbenzyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]-N-[4-(trifluorométhyl)phényl]-1-pipéridinecarboxamide [French] [ACD/IUPAC Name]
ZINC01324523

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.669
Molar Refractivity: 134.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 2.83
ACD/KOC (pH 5.5): 15.95
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 2.63
ACD/KOC (pH 7.4): 14.86
Polar Surface Area: 109 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 359.9±7.0 cm3

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