ChemSpider 2D Image | (5-Bromo-1H-indol-3-yl){4-[2-(ethylamino)-2-oxoethyl]-1-piperazinyl}acetic acid | C18H23BrN4O3

(5-Bromo-1H-indol-3-yl){4-[2-(ethylamino)-2-oxoethyl]-1-piperazinyl}acetic acid

  • Molecular FormulaC18H23BrN4O3
  • Average mass423.304 Da
  • Monoisotopic mass422.095337 Da
  • ChemSpider ID22487051

More details:

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

(5-Brom-1H-indol-3-yl){4-[2-(ethylamino)-2-oxoethyl]-1-piperazinyl}essigsäure [German] [ACD/IUPAC Name]
(5-Bromo-1H-indol-3-yl){4-[2-(ethylamino)-2-oxoethyl]-1-piperazinyl}acetic acid [ACD/IUPAC Name]
1H-Indole-3-acetic acid, 5-bromo-α-[4-[2-(ethylamino)-2-oxoethyl]-1-piperazinyl]- [ACD/Index Name]
Acide (5-bromo-1H-indol-3-yl){4-[2-(éthylamino)-2-oxoéthyl]-1-pipérazinyl}acétique [French] [ACD/IUPAC Name]
(5-bromo-1H-indol-3-yl){4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl}acetic acid
1081146-66-8 [RN]
2-(5-bromo-1H-indol-3-yl)-2-(4-(2-(ethylamino)-2-oxoethyl)piperazin-1-yl)acetic acid
2-(5-bromo-1H-indol-3-yl)-2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]acetic acid

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 652.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 101.0±3.0 kJ/mol
    Flash Point: 348.5±31.5 °C
    Index of Refraction: 1.647
    Molar Refractivity: 103.1±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.15
    ACD/LogD (pH 5.5): -0.30
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.56
    ACD/LogD (pH 7.4): -0.91
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 89 Å2
    Polarizability: 40.9±0.5 10-24cm3
    Surface Tension: 62.5±3.0 dyne/cm
    Molar Volume: 283.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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