ChemSpider 2D Image | N-{2-[4-(1-Azepanyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}-3-(trifluoromethyl)benzamide | C21H23F3N6O

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

  • Molecular FormulaC21H23F3N6O
  • Average mass432.442 Da
  • Monoisotopic mass432.188538 Da
  • ChemSpider ID21928937

More details:

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

Benzamide, N-[2-[4-(hexahydro-1H-azepin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-(trifluoromethyl)- [ACD/Index Name]
N-{2-[4-(1-Azepanyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}-3-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
N-{2-[4-(1-Azepanyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}-3-(trifluoromethyl)benzamide [ACD/IUPAC Name]
N-{2-[4-(1-Azépanyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]éthyl}-3-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]
1021061-17-5 [RN]
N-(2-(4-(azepan-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)-3-(trifluoromethyl)benzamide
N-{2-[4-(azepan-1-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: 601.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 317.6±31.5 °C
Index of Refraction: 1.635
Molar Refractivity: 110.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 142.89
ACD/KOC (pH 5.5): 1083.30
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 211.94
ACD/KOC (pH 7.4): 1606.72
Polar Surface Area: 76 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 48.8±7.0 dyne/cm
Molar Volume: 308.1±7.0 cm3

Click to predict properties on the Chemicalize site


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