ChemSpider 2D Image | 1-[(4-chlorophenyl)(phenyl)methyl]-4-{2H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazine | C22H21ClN6

1-[(4-chlorophenyl)(phenyl)methyl]-4-{2H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazine

  • Molecular FormulaC22H21ClN6
  • Average mass404.895 Da
  • Monoisotopic mass404.151611 Da
  • ChemSpider ID21931228

More details:

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

1-[(4-chlorophenyl)(phenyl)methyl]-4-{2H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazine
1021093-05-9 [RN]
4-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine
4-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}-1H-pyrazolo[3,4-d]pyrimidine
4-{4-[(4-Chloro-phenyl)-phenyl-methyl]-piperazin-1-yl}-1H-pyrazolo[3,4-d]pyrimidine

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 591.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 88.2±3.0 kJ/mol
    Flash Point: 311.2±30.1 °C
    Index of Refraction: 1.696
    Molar Refractivity: 115.0±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.19
    ACD/LogD (pH 5.5): 3.47
    ACD/BCF (pH 5.5): 177.55
    ACD/KOC (pH 5.5): 922.64
    ACD/LogD (pH 7.4): 4.11
    ACD/BCF (pH 7.4): 772.91
    ACD/KOC (pH 7.4): 4016.43
    Polar Surface Area: 61 Å2
    Polarizability: 45.6±0.5 10-24cm3
    Surface Tension: 69.4±3.0 dyne/cm
    Molar Volume: 299.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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