ChemSpider 2D Image | N-(3,5-Difluorophenyl)-2-{5-[(3-fluoro-4-methylphenyl)amino]-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}acetamide | C21H17F3N6O2

N-(3,5-Difluorophenyl)-2-{5-[(3-fluoro-4-methylphenyl)amino]-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}acetamide

  • Molecular FormulaC21H17F3N6O2
  • Average mass442.394 Da
  • Monoisotopic mass442.136505 Da
  • ChemSpider ID29161347

More details:

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

1,2,4-Triazolo[4,3-c]pyrimidine-2(3H)-acetamide, N-(3,5-difluorophenyl)-5-[(3-fluoro-4-methylphenyl)amino]-7-methyl-3-oxo- [ACD/Index Name]
N-(3,5-Difluorophenyl)-2-{5-[(3-fluoro-4-methylphenyl)amino]-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}acetamide [ACD/IUPAC Name]
N-(3,5-Difluorophényl)-2-{5-[(3-fluoro-4-méthylphényl)amino]-7-méthyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}acétamide [French] [ACD/IUPAC Name]
N-(3,5-Difluorphenyl)-2-{5-[(3-fluor-4-methylphenyl)amino]-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}acetamid [German] [ACD/IUPAC Name]
N1-(3,5-difluorophenyl)-2-[5-(3-fluoro-4-methylanilino)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide

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: 1.661
Molar Refractivity: 110.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 197.96
ACD/KOC (pH 5.5): 1532.86
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 197.96
ACD/KOC (pH 7.4): 1532.83
Polar Surface Area: 89 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 298.2±7.0 cm3

Click to predict properties on the Chemicalize site


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