ChemSpider 2D Image | 4-[(1H-Imidazo[4,5-b]pyridin-2-ylmethyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine | C18H13N7S

4-[(1H-Imidazo[4,5-b]pyridin-2-ylmethyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine

  • Molecular FormulaC18H13N7S
  • Average mass359.408 Da
  • Monoisotopic mass359.095306 Da
  • ChemSpider ID30283531

More details:

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

1H-Pyrazolo[3,4-d]pyrimidine, 4-[(3H-imidazo[4,5-b]pyridin-2-ylmethyl)thio]-1-phenyl- [ACD/Index Name]
4-[(1H-Imidazo[4,5-b]pyridin-2-ylmethyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin [German] [ACD/IUPAC Name]
4-[(1H-Imidazo[4,5-b]pyridin-2-ylmethyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine [ACD/IUPAC Name]
4-[(1H-Imidazo[4,5-b]pyridin-2-ylméthyl)sulfanyl]-1-phényl-1H-pyrazolo[3,4-d]pyrimidine [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 603.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.6±31.5 °C
Index of Refraction: 1.835
Molar Refractivity: 102.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 29.80
ACD/KOC (pH 5.5): 374.78
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 30.83
ACD/KOC (pH 7.4): 387.70
Polar Surface Area: 110 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 71.2±7.0 dyne/cm
Molar Volume: 233.3±7.0 cm3

Click to predict properties on the Chemicalize site


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