ChemSpider 2D Image | (2-Chlorophenyl){4-[1-(3-chlorophenyl)-6-cyclopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1-piperazinyl}methanone | C25H22Cl2N6O

(2-Chlorophenyl){4-[1-(3-chlorophenyl)-6-cyclopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1-piperazinyl}methanone

  • Molecular FormulaC25H22Cl2N6O
  • Average mass493.388 Da
  • Monoisotopic mass492.123230 Da
  • ChemSpider ID22639536

More details:

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

(2-Chlorophenyl){4-[1-(3-chlorophenyl)-6-cyclopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1-piperazinyl}methanone [ACD/IUPAC Name]
(2-Chlorophényl){4-[1-(3-chlorophényl)-6-cyclopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
(2-Chlorphenyl){4-[1-(3-chlorphenyl)-6-cyclopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
Methanone, (2-chlorophenyl)[4-[1-(3-chlorophenyl)-6-cyclopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1-piperazinyl]- [ACD/Index 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: 621.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 329.7±31.5 °C
Index of Refraction: 1.756
Molar Refractivity: 133.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 1173.78
ACD/KOC (pH 5.5): 5193.45
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1414.54
ACD/KOC (pH 7.4): 6258.71
Polar Surface Area: 67 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 62.4±7.0 dyne/cm
Molar Volume: 325.9±7.0 cm3

Click to predict properties on the Chemicalize site


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