ChemSpider 2D Image | Ethyl 5-[3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]-1-benzyl-2-methyl-1H-indole-3-carboxylate | C29H33N3O5

Ethyl 5-[3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]-1-benzyl-2-methyl-1H-indole-3-carboxylate

  • Molecular FormulaC29H33N3O5
  • Average mass503.589 Da
  • Monoisotopic mass503.242035 Da
  • ChemSpider ID3493426

More details:

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

1H-Indole-3-carboxylic acid, 5-[3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]-2-methyl-1-(phenylmethyl)-, ethyl ester [ACD/Index Name]
5-[3-(4-Acétyl-3,5-diméthyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]-1-benzyl-2-méthyl-1H-indole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-[3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]-1-benzyl-2-methyl-1H-indole-3-carboxylate [ACD/IUPAC Name]
Ethyl-5-[3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]-1-benzyl-2-methyl-1H-indol-3-carboxylat [German] [ACD/IUPAC Name]
5-[3-(4-Acetyl-3,5-dimethyl-pyrazol-1-yl)-2-hydroxy-propoxy]-1-benzyl-2-methyl-1H-indole-3-carboxylic acid ethyl ester
890643-28-4 [RN]
ethyl 5-(3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy)-1-benzyl-2-methyl-1H-indole-3-carboxylate
ethyl 5-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]-1-benzyl-2-methylindole-3-carboxylate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 713.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 109.4±3.0 kJ/mol
    Flash Point: 385.1±32.9 °C
    Index of Refraction: 1.603
    Molar Refractivity: 141.4±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 5.36
    ACD/LogD (pH 5.5): 5.11
    ACD/BCF (pH 5.5): 4511.31
    ACD/KOC (pH 5.5): 14366.19
    ACD/LogD (pH 7.4): 5.11
    ACD/BCF (pH 7.4): 4511.35
    ACD/KOC (pH 7.4): 14366.31
    Polar Surface Area: 96 Å2
    Polarizability: 56.0±0.5 10-24cm3
    Surface Tension: 44.1±7.0 dyne/cm
    Molar Volume: 411.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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