ChemSpider 2D Image | Ethyl 4-({[(1-{2-[(3,4-dimethoxybenzoyl)amino]ethyl}-1H-indol-3-yl)sulfanyl]acetyl}amino)benzoate | C30H31N3O6S

Ethyl 4-({[(1-{2-[(3,4-dimethoxybenzoyl)amino]ethyl}-1H-indol-3-yl)sulfanyl]acetyl}amino)benzoate

  • Molecular FormulaC30H31N3O6S
  • Average mass561.649 Da
  • Monoisotopic mass561.193359 Da
  • ChemSpider ID2587509

More details:

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

4-({2-[(1-{2-[(3,4-Diméthoxybenzoyl)amino]éthyl}-1H-indol-3-yl)sulfanyl]acétyl}amino)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-[[1-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-1H-indol-3-yl]thio]acetyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-({[(1-{2-[(3,4-dimethoxybenzoyl)amino]ethyl}-1H-indol-3-yl)sulfanyl]acetyl}amino)benzoate [ACD/IUPAC Name]
Ethyl-4-({[(1-{2-[(3,4-dimethoxybenzoyl)amino]ethyl}-1H-indol-3-yl)sulfanyl]acetyl}amino)benzoat [German] [ACD/IUPAC Name]
497073-40-2 [RN]
ethyl 4-(2-((1-(2-(3,4-dimethoxybenzamido)ethyl)-1H-indol-3-yl)thio)acetamido)benzoate
ethyl 4-[[2-[1-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]indol-3-yl]sulfanylacetyl]amino]benzoate
ethyl 4-{2-[(1-{2-[(3,4-dimethoxyphenyl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}benzoate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 786.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 114.4±3.0 kJ/mol
    Flash Point: 429.5±32.9 °C
    Index of Refraction: 1.613
    Molar Refractivity: 154.7±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 2
    ACD/LogP: 5.34
    ACD/LogD (pH 5.5): 4.83
    ACD/BCF (pH 5.5): 2740.48
    ACD/KOC (pH 5.5): 10055.24
    ACD/LogD (pH 7.4): 4.83
    ACD/BCF (pH 7.4): 2740.48
    ACD/KOC (pH 7.4): 10055.21
    Polar Surface Area: 133 Å2
    Polarizability: 61.3±0.5 10-24cm3
    Surface Tension: 47.9±7.0 dyne/cm
    Molar Volume: 444.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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