ChemSpider 2D Image | 1-(4-fluorophenyl)-N-(2-furylmethyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine | C21H22FN7O

1-(4-fluorophenyl)-N-(2-furylmethyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine

  • Molecular FormulaC21H22FN7O
  • Average mass407.444 Da
  • Monoisotopic mass407.186981 Da
  • ChemSpider ID26036864

More details:

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

[1-(4-Fluoro-phenyl)-6-(4-methyl-piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-furan-2-ylmethyl-amine
1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
1219546-61-8 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 550.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 83.1±3.0 kJ/mol
    Flash Point: 287.0±32.9 °C
    Index of Refraction: 1.705
    Molar Refractivity: 111.7±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.17
    ACD/LogD (pH 5.5): 0.86
    ACD/BCF (pH 5.5): 1.27
    ACD/KOC (pH 5.5): 17.40
    ACD/LogD (pH 7.4): 2.09
    ACD/BCF (pH 7.4): 21.55
    ACD/KOC (pH 7.4): 295.26
    Polar Surface Area: 75 Å2
    Polarizability: 44.3±0.5 10-24cm3
    Surface Tension: 55.3±7.0 dyne/cm
    Molar Volume: 287.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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