ChemSpider 2D Image | 3-[5,7-Dimethyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-[6-(trifluoromethyl)-3,4-dihydro-1(2H)-quinolinyl]-1-propanone | C21H19F6N5O

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

  • Molecular FormulaC21H19F6N5O
  • Average mass471.399 Da
  • Monoisotopic mass471.149384 Da
  • ChemSpider ID70915208

More details:

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

1-Propanone, 1-[3,4-dihydro-6-(trifluoromethyl)-1(2H)-quinolinyl]-3-[5,7-dimethyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]- [ACD/Index Name]
3-[5,7-Dimethyl-2-(trifluormethyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-[6-(trifluormethyl)-3,4-dihydro-1(2H)-chinolinyl]-1-propanon [German] [ACD/IUPAC Name]
3-[5,7-Diméthyl-2-(trifluorométhyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-[6-(trifluorométhyl)-3,4-dihydro-1(2H)-quinoléinyl]-1-propanone [French] [ACD/IUPAC Name]
3-[5,7-Dimethyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-[6-(trifluoromethyl)-3,4-dihydro-1(2H)-quinolinyl]-1-propanone [ACD/IUPAC Name]

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: 1.593
Molar Refractivity: 107.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1103.33
ACD/KOC (pH 5.5): 5242.86
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 1103.33
ACD/KOC (pH 7.4): 5242.86
Polar Surface Area: 63 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 40.2±7.0 dyne/cm
Molar Volume: 315.6±7.0 cm3

Click to predict properties on the Chemicalize site


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