ChemSpider 2D Image | 2-Methyl-4-({3-[6-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1-piperidinyl}carbonyl)-1(2H)-phthalazinone | C22H19F3N6O2

2-Methyl-4-({3-[6-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1-piperidinyl}carbonyl)-1(2H)-phthalazinone

  • Molecular FormulaC22H19F3N6O2
  • Average mass456.421 Da
  • Monoisotopic mass456.152161 Da
  • ChemSpider ID22477927

More details:






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

1(2H)-Phthalazinone, 2-methyl-4-[[3-[6-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyridin-3-yl]-1-piperidinyl]carbonyl]- [ACD/Index Name]
2-Methyl-4-({3-[6-(trifluormethyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1-piperidinyl}carbonyl)-1(2H)-phthalazinon [German] [ACD/IUPAC Name]
2-Méthyl-4-({3-[6-(trifluorométhyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1-pipéridinyl}carbonyl)-1(2H)-phtalazinone [French] [ACD/IUPAC Name]
2-Methyl-4-({3-[6-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1-piperidinyl}carbonyl)-1(2H)-phthalazinone [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.690
Molar Refractivity: 113.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.47
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 11.94
ACD/KOC (pH 5.5): 205.32
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 11.94
ACD/KOC (pH 7.4): 205.40
Polar Surface Area: 83 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 54.7±7.0 dyne/cm
Molar Volume: 298.1±7.0 cm3

Click to predict properties on the Chemicalize site






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