ChemSpider 2D Image | N-(2-{[1-(3-Chlorophenyl)-6-cyclohexyl-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-4-methoxybenzenesulfonamide | C27H31ClN6O3S

N-(2-{[1-(3-Chlorophenyl)-6-cyclohexyl-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-4-methoxybenzenesulfonamide

  • Molecular FormulaC27H31ClN6O3S
  • Average mass555.091 Da
  • Monoisotopic mass554.186707 Da
  • ChemSpider ID29266039

More details:

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

Benzenesulfonamide, N-[2-[[1-(3-chlorophenyl)-6-cyclohexyl-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]-4-methoxy- [ACD/Index Name]
N-(2-{[1-(3-Chlorophenyl)-6-cyclohexyl-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-4-methoxybenzenesulfonamide [ACD/IUPAC Name]
N-(2-{[1-(3-Chlorophényl)-6-cyclohexyl-3-méthyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}éthyl)-4-méthoxybenzènesulfonamide [French] [ACD/IUPAC Name]
N-(2-{[1-(3-Chlorphenyl)-6-cyclohexyl-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-4-methoxybenzolsulfonamid [German] [ACD/IUPAC 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: 672.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 360.3±34.3 °C
Index of Refraction: 1.683
Molar Refractivity: 148.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.76
ACD/LogD (pH 5.5): 5.49
ACD/BCF (pH 5.5): 8721.58
ACD/KOC (pH 5.5): 22849.50
ACD/LogD (pH 7.4): 5.50
ACD/BCF (pH 7.4): 8959.62
ACD/KOC (pH 7.4): 23473.11
Polar Surface Area: 119 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 55.1±7.0 dyne/cm
Molar Volume: 392.7±7.0 cm3

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