ChemSpider 2D Image | {2-[2-(1H-Imidazol-1-yl)ethyl]-1-piperidinyl}{1-[2-(trifluoromethyl)benzyl]-1H-1,2,3-triazol-4-yl}methanone | C21H23F3N6O

{2-[2-(1H-Imidazol-1-yl)ethyl]-1-piperidinyl}{1-[2-(trifluoromethyl)benzyl]-1H-1,2,3-triazol-4-yl}methanone

  • Molecular FormulaC21H23F3N6O
  • Average mass432.442 Da
  • Monoisotopic mass432.188538 Da
  • ChemSpider ID22504362

More details:

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

{2-[2-(1H-Imidazol-1-yl)ethyl]-1-piperidinyl}{1-[2-(trifluormethyl)benzyl]-1H-1,2,3-triazol-4-yl}methanon [German] [ACD/IUPAC Name]
{2-[2-(1H-Imidazol-1-yl)ethyl]-1-piperidinyl}{1-[2-(trifluoromethyl)benzyl]-1H-1,2,3-triazol-4-yl}methanone [ACD/IUPAC Name]
{2-[2-(1H-Imidazol-1-yl)éthyl]-1-pipéridinyl}{1-[2-(trifluorométhyl)benzyl]-1H-1,2,3-triazol-4-yl}méthanone [French] [ACD/IUPAC Name]
Methanone, [2-[2-(1H-imidazol-1-yl)ethyl]-1-piperidinyl][1-[[2-(trifluoromethyl)phenyl]methyl]-1H-1,2,3-triazol-4-yl]- [ACD/Index Name]
2-[2-(1H-imidazol-1-yl)ethyl]-1-({1-[2-(trifluoromethyl)benzyl]-1H-1,2,3-triazol-4-yl}carbonyl)piperidine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 624.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 331.2±34.3 °C
Index of Refraction: 1.626
Molar Refractivity: 111.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.01
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.11
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 19.03
ACD/KOC (pH 7.4): 257.46
Polar Surface Area: 69 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 48.4±7.0 dyne/cm
Molar Volume: 314.2±7.0 cm3

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