ChemSpider 2D Image | 1-[3,5-Bis(trifluoromethyl)phenyl]-3-(2-{[2-methyl-6-(1H-pyrazol-1-yl)-4-pyrimidinyl]amino}ethyl)urea | C19H17F6N7O

1-[3,5-Bis(trifluoromethyl)phenyl]-3-(2-{[2-methyl-6-(1H-pyrazol-1-yl)-4-pyrimidinyl]amino}ethyl)urea

  • Molecular FormulaC19H17F6N7O
  • Average mass473.375 Da
  • Monoisotopic mass473.139862 Da
  • ChemSpider ID58384711

More details:

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

1-[3,5-Bis(trifluormethyl)phenyl]-3-(2-{[2-methyl-6-(1H-pyrazol-1-yl)-4-pyrimidinyl]amino}ethyl)harnstoff [German] [ACD/IUPAC Name]
1-[3,5-Bis(trifluoromethyl)phenyl]-3-(2-{[2-methyl-6-(1H-pyrazol-1-yl)-4-pyrimidinyl]amino}ethyl)urea [ACD/IUPAC Name]
1-[3,5-Bis(trifluorométhyl)phényl]-3-(2-{[2-méthyl-6-(1H-pyrazol-1-yl)-4-pyrimidinyl]amino}éthyl)urée [French] [ACD/IUPAC Name]
Urea, N-[3,5-bis(trifluoromethyl)phenyl]-N'-[2-[[2-methyl-6-(1H-pyrazol-1-yl)-4-pyrimidinyl]amino]ethyl]- [ACD/Index Name]
1-(3,5-bis(trifluoromethyl)phenyl)-3-(2-((2-methyl-6-(1H-pyrazol-1-yl)pyrimidin-4-yl)amino)ethyl)urea

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

Density: 1.5±0.1 g/cm3
Boiling Point: 527.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 272.9±30.1 °C
Index of Refraction: 1.583
Molar Refractivity: 105.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.69
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 1170.67
ACD/KOC (pH 5.5): 4935.86
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 1671.21
ACD/KOC (pH 7.4): 7046.28
Polar Surface Area: 97 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 42.1±7.0 dyne/cm
Molar Volume: 316.2±7.0 cm3

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