ChemSpider 2D Image | 1-[4-(2,3-Dimethylphenyl)-1-piperazinyl]-3-[5,7-dimethyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-propanone | C23H27F3N6O

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

  • Molecular FormulaC23H27F3N6O
  • Average mass460.495 Da
  • Monoisotopic mass460.219849 Da
  • ChemSpider ID21699837

More details:

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

1-[4-(2,3-Dimethylphenyl)-1-piperazinyl]-3-[5,7-dimethyl-2-(trifluormethyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-propanon [German] [ACD/IUPAC Name]
1-[4-(2,3-Dimethylphenyl)-1-piperazinyl]-3-[5,7-dimethyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-propanone [ACD/IUPAC Name]
1-[4-(2,3-Diméthylphényl)-1-pipérazinyl]-3-[5,7-diméthyl-2-(trifluorométhyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-3-[5,7-dimethyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.615
Molar Refractivity: 119.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 213.20
ACD/KOC (pH 5.5): 1610.95
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 215.72
ACD/KOC (pH 7.4): 1630.00
Polar Surface Area: 67 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 42.6±7.0 dyne/cm
Molar Volume: 342.8±7.0 cm3

Click to predict properties on the Chemicalize site


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