ChemSpider 2D Image | N-(3-Chlorophenyl)-2-{7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}acetamide | C21H15ClF3N5O2

N-(3-Chlorophenyl)-2-{7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}acetamide

  • Molecular FormulaC21H15ClF3N5O2
  • Average mass461.824 Da
  • Monoisotopic mass461.086639 Da
  • ChemSpider ID25183515

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-chlorophenyl)-7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl]- [ACD/Index Name]
N-(3-Chlorophenyl)-2-{7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}acetamide [ACD/IUPAC Name]
N-(3-Chlorophényl)-2-{7-méthyl-3-oxo-5-[4-(trifluorométhyl)phényl][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}acétamide [French] [ACD/IUPAC Name]
N-(3-Chlorphenyl)-2-{7-methyl-3-oxo-5-[4-(trifluormethyl)phenyl][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}acetamid [German] [ACD/IUPAC Name]
N-(3-Chloro-phenyl)-2-[7-methyl-3-oxo-5-(4-trifluoromethyl-phenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-2-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: 1.648
Molar Refractivity: 112.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 364.83
ACD/KOC (pH 5.5): 2374.38
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 364.83
ACD/KOC (pH 7.4): 2374.38
Polar Surface Area: 77 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 309.1±7.0 cm3

Click to predict properties on the Chemicalize site


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