ChemSpider 2D Image | Methyl 4-[3-methyl-6-oxo-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoate | C20H17N7O3

Methyl 4-[3-methyl-6-oxo-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoate

  • Molecular FormulaC20H17N7O3
  • Average mass403.394 Da
  • Monoisotopic mass403.139282 Da
  • ChemSpider ID22946049

More details:

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

4-[3-Méthyl-6-oxo-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4,5,6,7-tétrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[4,5,6,7-tetrahydro-3-methyl-6-oxo-1-(1,2,4-triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazolo[3,4-b]pyridin-4-yl]-, methyl ester [ACD/Index Name]
Methyl 4-[3-methyl-6-oxo-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoate [ACD/IUPAC Name]
Methyl-4-[3-methyl-6-oxo-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoat [German] [ACD/IUPAC Name]
1110981-43-5 [RN]
AGN-PC-07NTUW
AKOS001914060
AKOS005669762
AKOS022054184
MCULE-8090048287
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.784
    Molar Refractivity: 107.9±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 1.44
    ACD/LogD (pH 5.5): 1.49
    ACD/BCF (pH 5.5): 7.97
    ACD/KOC (pH 5.5): 153.71
    ACD/LogD (pH 7.4): 1.49
    ACD/BCF (pH 7.4): 7.97
    ACD/KOC (pH 7.4): 153.71
    Polar Surface Area: 116 Å2
    Polarizability: 42.8±0.5 10-24cm3
    Surface Tension: 67.8±7.0 dyne/cm
    Molar Volume: 256.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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