ChemSpider 2D Image | 4-Benzyl-1-(8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-3-methyl-1H-pyrazol-5-ol | C20H15BrN6O

4-Benzyl-1-(8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-3-methyl-1H-pyrazol-5-ol

  • Molecular FormulaC20H15BrN6O
  • Average mass435.277 Da
  • Monoisotopic mass434.049072 Da
  • ChemSpider ID21522736

More details:

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

1H-Pyrazol-5-ol, 1-(8-bromo-5H-1,2,4-triazino[5,6-b]indol-3-yl)-3-methyl-4-(phenylmethyl)-
4-Benzyl-1-(8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)-3-methyl-1H-pyrazol-5-ol
371228-69-2 [RN]

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 714.5±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 108.2±3.0 kJ/mol
    Flash Point: 385.9±35.7 °C
    Index of Refraction: 1.804
    Molar Refractivity: 109.4±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.41
    ACD/LogD (pH 5.5): 3.70
    ACD/BCF (pH 5.5): 351.19
    ACD/KOC (pH 5.5): 2094.29
    ACD/LogD (pH 7.4): 2.33
    ACD/BCF (pH 7.4): 14.98
    ACD/KOC (pH 7.4): 89.30
    Polar Surface Area: 93 Å2
    Polarizability: 43.4±0.5 10-24cm3
    Surface Tension: 66.0±7.0 dyne/cm
    Molar Volume: 255.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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