ChemSpider 2D Image | N-(4-Methylbenzyl)-2-{7-oxo-3-[3-(trifluoromethyl)benzyl]-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide | C22H19F3N6O2

N-(4-Methylbenzyl)-2-{7-oxo-3-[3-(trifluoromethyl)benzyl]-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide

  • Molecular FormulaC22H19F3N6O2
  • Average mass456.421 Da
  • Monoisotopic mass456.152161 Da
  • ChemSpider ID24594151

More details:






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

6H-1,2,3-Triazolo[4,5-d]pyrimidine-6-acetamide, 3,7-dihydro-N-[(4-methylphenyl)methyl]-7-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]
N-(4-Methylbenzyl)-2-{7-oxo-3-[3-(trifluormethyl)benzyl]-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamid [German] [ACD/IUPAC Name]
N-(4-Methylbenzyl)-2-{7-oxo-3-[3-(trifluoromethyl)benzyl]-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide [ACD/IUPAC Name]
N-(4-Méthylbenzyl)-2-{7-oxo-3-[3-(trifluorométhyl)benzyl]-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acétamide [French] [ACD/IUPAC Name]
N-(4-Methyl-benzyl)-2-[7-oxo-3-(3-trifluoromethyl-benzyl)-3,7-dihydro-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-acetamide

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.640
Molar Refractivity: 115.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.24
ACD/KOC (pH 5.5): 557.95
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.24
ACD/KOC (pH 7.4): 557.95
Polar Surface Area: 92 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 49.7±7.0 dyne/cm
Molar Volume: 320.5±7.0 cm3

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