ChemSpider 2D Image | 3-[5,7-Dimethyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-[4-(2-fluorophenyl)-1-piperazinyl]-1-propanone | C21H22F4N6O

3-[5,7-Dimethyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-[4-(2-fluorophenyl)-1-piperazinyl]-1-propanone

  • Molecular FormulaC21H22F4N6O
  • Average mass450.433 Da
  • Monoisotopic mass450.179108 Da
  • ChemSpider ID21721975

More details:

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

1-Propanone, 3-[5,7-dimethyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-[4-(2-fluorophenyl)-1-piperazinyl]- [ACD/Index Name]
3-[5,7-Dimethyl-2-(trifluormethyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-[4-(2-fluorphenyl)-1-piperazinyl]-1-propanon [German] [ACD/IUPAC Name]
3-[5,7-Dimethyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-[4-(2-fluorophenyl)-1-piperazinyl]-1-propanone [ACD/IUPAC Name]
3-[5,7-Diméthyl-2-(trifluorométhyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-[4-(2-fluorophényl)-1-pipérazinyl]-1-propanone [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.619
Molar Refractivity: 110.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 85.13
ACD/KOC (pH 5.5): 837.78
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 85.15
ACD/KOC (pH 7.4): 838.01
Polar Surface Area: 67 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 44.4±7.0 dyne/cm
Molar Volume: 315.3±7.0 cm3

Click to predict properties on the Chemicalize site


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