ChemSpider 2D Image | N-(3-Chloro-4-methylphenyl)-7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-2-(trifluoromethyl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide | C24H21ClF3N5O3

N-(3-Chloro-4-methylphenyl)-7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-2-(trifluoromethyl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

  • Molecular FormulaC24H21ClF3N5O3
  • Average mass519.903 Da
  • Monoisotopic mass519.128479 Da
  • ChemSpider ID28627498

More details:

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

[1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxamide, N-(3-chloro-4-methylphenyl)-7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4,7-dihydro-5-methyl-2-(trifluoromethyl)- [ACD/Index Name]
N-(3-Chlor-4-methylphenyl)-7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-2-(trifluormethyl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-carboxamid [German] [ACD/IUPAC Name]
N-(3-Chloro-4-methylphenyl)-7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-2-(trifluoromethyl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide [ACD/IUPAC Name]
N-(3-Chloro-4-méthylphényl)-7-(3,4-dihydro-2H-1,5-benzodioxépin-7-yl)-5-méthyl-2-(trifluorométhyl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide [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: 1.660
Molar Refractivity: 124.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 6.32
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 2467.15
ACD/KOC (pH 5.5): 9326.71
ACD/LogD (pH 7.4): 4.77
ACD/BCF (pH 7.4): 2467.16
ACD/KOC (pH 7.4): 9326.75
Polar Surface Area: 90 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 337.4±7.0 cm3

Click to predict properties on the Chemicalize site


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