ChemSpider 2D Image | N-(6-{3-[(2-Carbamoylphenyl)amino]-3-oxopropyl}-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)-2-(trifluoromethyl)benzamide | C21H17F3N6O4

N-(6-{3-[(2-Carbamoylphenyl)amino]-3-oxopropyl}-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)-2-(trifluoromethyl)benzamide

  • Molecular FormulaC21H17F3N6O4
  • Average mass474.393 Da
  • Monoisotopic mass474.126343 Da
  • ChemSpider ID66842427

More details:

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

1,2,4-Triazine-6-propanamide, N-[2-(aminocarbonyl)phenyl]-4,5-dihydro-5-oxo-3-[[2-(trifluoromethyl)benzoyl]amino]- [ACD/Index Name]
N-(6-{3-[(2-Carbamoylphenyl)amino]-3-oxopropyl}-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)-2-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
N-(6-{3-[(2-Carbamoylphenyl)amino]-3-oxopropyl}-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)-2-(trifluoromethyl)benzamide [ACD/IUPAC Name]
N-(6-{3-[(2-Carbamoylphényl)amino]-3-oxopropyl}-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)-2-(trifluorométhyl)benzamide [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: 1.650
Molar Refractivity: 112.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.65
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 8.14
ACD/KOC (pH 5.5): 154.71
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 2.65
ACD/KOC (pH 7.4): 50.37
Polar Surface Area: 155 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 56.4±7.0 dyne/cm
Molar Volume: 308.2±7.0 cm3

Click to predict properties on the Chemicalize site


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