ChemSpider 2D Image | N-{2-[4-(4-Phenyl-1-piperazinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}-3-(trifluoromethyl)benzamide | C25H24F3N7O

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

  • Molecular FormulaC25H24F3N7O
  • Average mass495.500 Da
  • Monoisotopic mass495.199432 Da
  • ChemSpider ID39323431

More details:

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

Benzamide, N-[2-[4-(4-phenyl-1-piperazinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-(trifluoromethyl)- [ACD/Index Name]
N-{2-[4-(4-Phenyl-1-piperazinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}-3-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
N-{2-[4-(4-Phenyl-1-piperazinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}-3-(trifluoromethyl)benzamide [ACD/IUPAC Name]
N-{2-[4-(4-Phényl-1-pipérazinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]éthyl}-3-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]
N-(2-(4-(4-phenylpiperazin-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: 680.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 365.4±31.5 °C
Index of Refraction: 1.655
Molar Refractivity: 130.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 248.77
ACD/KOC (pH 5.5): 1556.59
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 415.58
ACD/KOC (pH 7.4): 2600.32
Polar Surface Area: 79 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 354.5±7.0 cm3

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