ChemSpider 2D Image | N-(3-chlorophenyl)-6-methylsulfanyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine | C21H20ClN5S

N-(3-chlorophenyl)-6-methylsulfanyl-1-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine

  • Molecular FormulaC21H20ClN5S
  • Average mass409.935 Da
  • Monoisotopic mass409.112793 Da
  • ChemSpider ID26635705

More details:

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

1H-Pyrazolo[3,4-d]pyrimidin-4-amine, N-(3-chlorophenyl)-6-(methylthio)-1-(2-phenylpropyl)- [ACD/Index Name]
N-(3-Chlorophenyl)-6-(methylsulfanyl)-1-(2-phenylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine [ACD/IUPAC Name]
N-(3-Chlorophényl)-6-(méthylsulfanyl)-1-(2-phénylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
N-(3-Chlorphenyl)-6-(methylsulfanyl)-1-(2-phenylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 619.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 328.3±34.3 °C
Index of Refraction: 1.687
Molar Refractivity: 117.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.30
ACD/LogD (pH 5.5): 5.68
ACD/BCF (pH 5.5): 12108.37
ACD/KOC (pH 5.5): 29097.22
ACD/LogD (pH 7.4): 5.68
ACD/BCF (pH 7.4): 12148.09
ACD/KOC (pH 7.4): 29192.67
Polar Surface Area: 81 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 50.7±7.0 dyne/cm
Molar Volume: 308.2±7.0 cm3

Click to predict properties on the Chemicalize site


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