ChemSpider 2D Image | 6-Chloro-1-(1,4-dioxaspiro[4.5]dec-8-yl)-4-(8-oxa-3-azabicyclo[3.2.1]oct-3-yl)-1H-pyrazolo[3,4-d]pyrimidine | C19H24ClN5O3

6-Chloro-1-(1,4-dioxaspiro[4.5]dec-8-yl)-4-(8-oxa-3-azabicyclo[3.2.1]oct-3-yl)-1H-pyrazolo[3,4-d]pyrimidine

  • Molecular FormulaC19H24ClN5O3
  • Average mass405.879 Da
  • Monoisotopic mass405.156769 Da
  • ChemSpider ID28189695

More details:

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

1144080-35-2 [RN]
3-[6-Chloro-1-(1,4-dioxaspiro[4.5]dec-8-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane
6-Chlor-1-(1,4-dioxaspiro[4.5]dec-8-yl)-4-(8-oxa-3-azabicyclo[3.2.1]oct-3-yl)-1H-pyrazolo[3,4-d]pyrimidin [German] [ACD/IUPAC Name]
6-Chloro-1-(1,4-dioxaspiro[4.5]dec-8-yl)-4-(8-oxa-3-azabicyclo[3.2.1]oct-3-yl)-1H-pyrazolo[3,4-d]pyrimidine [ACD/IUPAC Name]
6-Chloro-1-(1,4-dioxaspiro[4.5]déc-8-yl)-4-(8-oxa-3-azabicyclo[3.2.1]oct-3-yl)-1H-pyrazolo[3,4-d]pyrimidine [French] [ACD/IUPAC Name]
8-Oxa-3-azabicyclo[3.2.1]octane, 3-[6-chloro-1-(1,4-dioxaspiro[4.5]dec-8-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]- [ACD/Index Name]
3-(6-chloro-1-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane
3-(6-CHLORO-1-{1,4-DIOXASPIRO[4.5]DECAN-8-YL}PYRAZOLO[3,4-D]PYRIMIDIN-4-YL)-8-OXA-3-AZABICYCLO[3.2.1]OCTANE
3-[6-chloro-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane
6-Chloro-1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1H-pyrazolo[3,4-d]pyrimidine
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.7±0.1 g/cm3
    Boiling Point: 576.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 86.3±3.0 kJ/mol
    Flash Point: 302.3±30.1 °C
    Index of Refraction: 1.798
    Molar Refractivity: 101.2±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.77
    ACD/LogD (pH 5.5): 1.38
    ACD/BCF (pH 5.5): 6.51
    ACD/KOC (pH 5.5): 132.54
    ACD/LogD (pH 7.4): 1.38
    ACD/BCF (pH 7.4): 6.59
    ACD/KOC (pH 7.4): 134.24
    Polar Surface Area: 75 Å2
    Polarizability: 40.1±0.5 10-24cm3
    Surface Tension: 70.9±7.0 dyne/cm
    Molar Volume: 237.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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