ChemSpider 2D Image | 1-Methyl-3-{4-[4-(4-morpholinyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl}urea | C19H20F3N7O2

1-Methyl-3-{4-[4-(4-morpholinyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl}urea

  • Molecular FormulaC19H20F3N7O2
  • Average mass435.403 Da
  • Monoisotopic mass435.163055 Da
  • ChemSpider ID24636133

More details:

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

1-Methyl-3-{4-[4-(4-morpholinyl)-1-(2,2,2-trifluorethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl}harnstoff [German] [ACD/IUPAC Name]
1-Methyl-3-{4-[4-(4-morpholinyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl}urea [ACD/IUPAC Name]
1-Méthyl-3-{4-[4-(4-morpholinyl)-1-(2,2,2-trifluoroéthyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phényl}urée [French] [ACD/IUPAC Name]
Urea, N-methyl-N'-[4-[4-(4-morpholinyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]- [ACD/Index 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: 493.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 252.3±28.7 °C
Index of Refraction: 1.657
Molar Refractivity: 105.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.26
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 12.30
ACD/KOC (pH 5.5): 209.06
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 12.45
ACD/KOC (pH 7.4): 211.60
Polar Surface Area: 97 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 51.9±7.0 dyne/cm
Molar Volume: 286.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement