ChemSpider 2D Image | N-[3,5-Bis(trifluoromethyl)benzyl]-2-[2-(dimethylamino)ethoxy]-N-methyl-4-(2-methylphenoxy)-5-pyrimidinecarboxamide | C26H26F6N4O3

N-[3,5-Bis(trifluoromethyl)benzyl]-2-[2-(dimethylamino)ethoxy]-N-methyl-4-(2-methylphenoxy)-5-pyrimidinecarboxamide

  • Molecular FormulaC26H26F6N4O3
  • Average mass556.500 Da
  • Monoisotopic mass556.190918 Da
  • ChemSpider ID8295774

More details:

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

5-Pyrimidinecarboxamide, N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[2-(dimethylamino)ethoxy]-N-methyl-4-(2-methylphenoxy)- [ACD/Index Name]
N-[3,5-Bis(trifluormethyl)benzyl]-2-[2-(dimethylamino)ethoxy]-N-methyl-4-(2-methylphenoxy)-5-pyrimidincarboxamid [German] [ACD/IUPAC Name]
N-[3,5-Bis(trifluoromethyl)benzyl]-2-[2-(dimethylamino)ethoxy]-N-methyl-4-(2-methylphenoxy)-5-pyrimidinecarboxamide [ACD/IUPAC Name]
N-[3,5-Bis(trifluorométhyl)benzyl]-2-[2-(diméthylamino)éthoxy]-N-méthyl-4-(2-méthylphénoxy)-5-pyrimidinecarboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 565.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.9±3.0 kJ/mol
Flash Point: 295.7±32.9 °C
Index of Refraction: 1.526
Molar Refractivity: 130.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 7.65
ACD/KOC (pH 5.5): 28.65
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 382.91
ACD/KOC (pH 7.4): 1433.96
Polar Surface Area: 68 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 426.5±3.0 cm3

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