ChemSpider 2D Image | 5-Anilino-3-(benzylsulfanyl)-6-[(3-chlorophenyl)amino]-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | C30H23ClN6OS

5-Anilino-3-(benzylsulfanyl)-6-[(3-chlorophenyl)amino]-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

  • Molecular FormulaC30H23ClN6OS
  • Average mass551.061 Da
  • Monoisotopic mass550.134277 Da
  • ChemSpider ID30658152

More details:

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

4H-Pyrazolo[3,4-d]pyrimidin-4-one, 6-[(3-chlorophenyl)amino]-1,5-dihydro-1-phenyl-5-(phenylamino)-3-[(phenylmethyl)thio]- [ACD/Index Name]
5-Anilino-3-(benzylsulfanyl)-6-[(3-chlorophenyl)amino]-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one [ACD/IUPAC Name]
5-Anilino-3-(benzylsulfanyl)-6-[(3-chlorophényl)amino]-1-phényl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one [French] [ACD/IUPAC Name]
5-Anilino-3-(benzylsulfanyl)-6-[(3-chlorphenyl)amino]-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-on [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: 722.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 390.9±35.7 °C
Index of Refraction: 1.713
Molar Refractivity: 158.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.43
ACD/LogD (pH 5.5): 6.22
ACD/BCF (pH 5.5): 31212.94
ACD/KOC (pH 5.5): 57362.60
ACD/LogD (pH 7.4): 6.22
ACD/BCF (pH 7.4): 31213.04
ACD/KOC (pH 7.4): 57362.79
Polar Surface Area: 100 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 57.4±7.0 dyne/cm
Molar Volume: 405.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement