ChemSpider 2D Image | 4-{[1-Benzyl-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}-N-isopropylbenzenesulfonamide | C22H21F3N6O2S

4-{[1-Benzyl-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}-N-isopropylbenzenesulfonamide

  • Molecular FormulaC22H21F3N6O2S
  • Average mass490.501 Da
  • Monoisotopic mass490.139893 Da
  • ChemSpider ID29977835

More details:

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

4-{[1-Benzyl-6-(trifluormethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}-N-isopropylbenzolsulfonamid [German] [ACD/IUPAC Name]
4-{[1-Benzyl-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}-N-isopropylbenzenesulfonamide [ACD/IUPAC Name]
4-{[1-Benzyl-6-(trifluorométhyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}-N-isopropylbenzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, N-(1-methylethyl)-4-[[1-(phenylmethyl)-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.642
Molar Refractivity: 122.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 166.62
ACD/KOC (pH 5.5): 1354.89
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 166.62
ACD/KOC (pH 7.4): 1354.92
Polar Surface Area: 110 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 339.3±7.0 cm3

Click to predict properties on the Chemicalize site


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