ChemSpider 2D Image | N-{2-[4-(2,6-Dimethyl-4-morpholinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}-3-(trifluoromethyl)benzamide | C21H23F3N6O2

N-{2-[4-(2,6-Dimethyl-4-morpholinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}-3-(trifluoromethyl)benzamide

  • Molecular FormulaC21H23F3N6O2
  • Average mass448.441 Da
  • Monoisotopic mass448.183472 Da
  • ChemSpider ID22530459

More details:

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

Benzamide, N-[2-[4-(2,6-dimethyl-4-morpholinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-(trifluoromethyl)- [ACD/Index Name]
N-{2-[4-(2,6-Dimethyl-4-morpholinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}-3-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
N-{2-[4-(2,6-Dimethyl-4-morpholinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}-3-(trifluoromethyl)benzamide [ACD/IUPAC Name]
N-{2-[4-(2,6-Diméthyl-4-morpholinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]éthyl}-3-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]
1105231-08-0 [RN]
N-(2-(4-(2,6-dimethylmorpholino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)-3-(trifluoromethyl)benzamide
N-{2-[4-(2,6-dimethylmorpholin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}-3-(trifluoromethyl)benzamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 608.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 322.0±31.5 °C
Index of Refraction: 1.630
Molar Refractivity: 111.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 55.77
ACD/KOC (pH 5.5): 580.34
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 69.75
ACD/KOC (pH 7.4): 725.82
Polar Surface Area: 85 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 46.9±7.0 dyne/cm
Molar Volume: 312.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement