ChemSpider 2D Image | gamma-Aminobutyric acid almotriptan | C17H25N3O4S

γ-Aminobutyric acid almotriptan

  • Molecular FormulaC17H25N3O4S
  • Average mass367.463 Da
  • Monoisotopic mass367.156586 Da
  • ChemSpider ID22568554

More details:

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

4-{[({3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl}methyl)sulfonyl]amino}butanoic acid [ACD/IUPAC Name]
4-{[({3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl}methyl)sulfonyl]amino}butansäure [German] [ACD/IUPAC Name]
603137-41-3 [RN]
Acide 4-{[({3-[2-(diméthylamino)éthyl]-1H-indol-5-yl}méthyl)sulfonyl]amino}butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]sulfonyl]amino]- [ACD/Index Name]
γ-Aminobutyric acid almotriptan
4-((3-(2-(Dimethylamino)ethyl)-1H-indol-5-yl)methylsulfonamido)butanoic acid
4-[({3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl}methanesulfonyl)amino]butanoic acid
4-[[[[3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl]methyl]sulfonyl]amino]butanoic acid
4-[[3-[2-(dimethylazaniumyl)ethyl]-1H-indol-5-yl]methylsulfonylamino]butanoate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 627.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 97.7±3.0 kJ/mol
    Flash Point: 333.5±34.3 °C
    Index of Refraction: 1.612
    Molar Refractivity: 97.9±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 0.69
    ACD/LogD (pH 5.5): -1.26
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.23
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 111 Å2
    Polarizability: 38.8±0.5 10-24cm3
    Surface Tension: 59.2±3.0 dyne/cm
    Molar Volume: 281.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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