ChemSpider 2D Image | 1-[(2-Methyl-1H-indol-4-yl)oxy]-3-{[2-(~2~H_3_)methyl(~2~H_6_)-2-propanyl]amino}-2-propanyl benzoate | C23H19D9N2O3

1-[(2-Methyl-1H-indol-4-yl)oxy]-3-{[2-(2H3)methyl(2H6)-2-propanyl]amino}-2-propanyl benzoate

  • Molecular FormulaC23H19D9N2O3
  • Average mass389.535 Da
  • Monoisotopic mass389.266479 Da
  • ChemSpider ID48058623

  • Non-standard isotope - Non-standard isotope

More details:

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

1-[(2-Methyl-1H-indol-4-yl)oxy]-3-{[2-(2H3)methyl(2H6)-2-propanyl]amino}-2-propanyl benzoate [ACD/IUPAC Name]
1-[(2-Methyl-1H-indol-4-yl)oxy]-3-{[2-(2H3)methyl(2H6)-2-propanyl]amino}-2-propanyl-benzoat [German] [ACD/IUPAC Name]
2-Propanol, 1-[[1,1-di(methyl-d3)ethyl-2,2,2-d3]amino]-3-[(2-methyl-1H-indol-4-yl)oxy]-, benzoate (ester) [ACD/Index Name]
Benzoate de 1-[(2-méthyl-1H-indol-4-yl)oxy]-3-{[2-(2H3)méthyl(2H6)-2-propanyl]amino}-2-propanyle [French] [ACD/IUPAC Name]
[1-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl] benzoate
1794891-82-9 [RN]
rac bopindolol-d9

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 557.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 83.9±3.0 kJ/mol
    Flash Point: 290.7±30.1 °C
    Index of Refraction: 1.593
    Molar Refractivity: 112.7±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 4.90
    ACD/LogD (pH 5.5): 1.76
    ACD/BCF (pH 5.5): 2.40
    ACD/KOC (pH 5.5): 8.92
    ACD/LogD (pH 7.4): 2.81
    ACD/BCF (pH 7.4): 26.66
    ACD/KOC (pH 7.4): 98.97
    Polar Surface Area: 63 Å2
    Polarizability: 44.7±0.5 10-24cm3
    Surface Tension: 45.5±3.0 dyne/cm
    Molar Volume: 332.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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