ChemSpider 2D Image | Ethyl {4-[3-(difluoromethoxy)phenyl]-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-1-yl}acetate | C18H19F2N3O4

Ethyl {4-[3-(difluoromethoxy)phenyl]-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-1-yl}acetate

  • Molecular FormulaC18H19F2N3O4
  • Average mass379.358 Da
  • Monoisotopic mass379.134369 Da
  • ChemSpider ID27321101

More details:

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

{4-[3-(Difluorométhoxy)phényl]-3-méthyl-6-oxo-4,5,6,7-tétrahydro-1H-pyrazolo[3,4-b]pyridin-1-yl}acétate d'éthyle [French] [ACD/IUPAC Name]
1H-Pyrazolo[3,4-b]pyridine-1-acetic acid, 4-[3-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro-3-methyl-6-oxo-, ethyl ester [ACD/Index Name]
Ethyl {4-[3-(difluoromethoxy)phenyl]-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-1-yl}acetate [ACD/IUPAC Name]
Ethyl-{4-[3-(difluormethoxy)phenyl]-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-1-yl}acetat [German] [ACD/IUPAC Name]
[4-(3-Difluoromethoxy-phenyl)-6-hydroxy-3-methyl-4,5-dihydro-pyrazolo[3,4-b]pyridin-1-yl]-acetic acid ethyl ester
1310933-85-7 [RN]
ethyl {4-[3-(difluoromethoxy)phenyl]-6-hydroxy-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-1-yl}acetate
ethyl 2-(4-(3-(difluoromethoxy)phenyl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-1-yl)acetate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 534.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 85.3±3.0 kJ/mol
    Flash Point: 277.1±32.9 °C
    Index of Refraction: 1.599
    Molar Refractivity: 91.8±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 1.62
    ACD/LogD (pH 5.5): 1.95
    ACD/BCF (pH 5.5): 17.21
    ACD/KOC (pH 5.5): 253.40
    ACD/LogD (pH 7.4): 1.89
    ACD/BCF (pH 7.4): 14.83
    ACD/KOC (pH 7.4): 218.35
    Polar Surface Area: 86 Å2
    Polarizability: 36.4±0.5 10-24cm3
    Surface Tension: 44.5±7.0 dyne/cm
    Molar Volume: 268.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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