ChemSpider 2D Image | 3-[5,7-Dimethyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-fluoro-6-(1-pyrrolidinyl)phenyl]propanamide | C21H22F4N6O

3-[5,7-Dimethyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-fluoro-6-(1-pyrrolidinyl)phenyl]propanamide

  • Molecular FormulaC21H22F4N6O
  • Average mass450.433 Da
  • Monoisotopic mass450.179108 Da
  • ChemSpider ID70915295

More details:

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

[1,2,4]Triazolo[1,5-a]pyrimidine-6-propanamide, N-[2-fluoro-6-(1-pyrrolidinyl)phenyl]-5,7-dimethyl-2-(trifluoromethyl)- [ACD/Index Name]
3-[5,7-Dimethyl-2-(trifluormethyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-fluor-6-(1-pyrrolidinyl)phenyl]propanamid [German] [ACD/IUPAC Name]
3-[5,7-Dimethyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-fluoro-6-(1-pyrrolidinyl)phenyl]propanamide [ACD/IUPAC Name]
3-[5,7-Diméthyl-2-(trifluorométhyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-fluoro-6-(1-pyrrolidinyl)phényl]propanamide [French] [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: 1.628
Molar Refractivity: 109.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 130.55
ACD/KOC (pH 5.5): 968.01
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 228.37
ACD/KOC (pH 7.4): 1693.31
Polar Surface Area: 75 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 44.7±7.0 dyne/cm
Molar Volume: 309.2±7.0 cm3

Click to predict properties on the Chemicalize site


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