ChemSpider 2D Image | (4E)-4-[2,3-Dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1-[3-(1H-imidazol-1-yl)propyl]-2,3-pyrrolidinedione | C32H37N3O7

(4E)-4-[2,3-Dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1-[3-(1H-imidazol-1-yl)propyl]-2,3-pyrrolidinedione

  • Molecular FormulaC32H37N3O7
  • Average mass575.652 Da
  • Monoisotopic mass575.263123 Da
  • ChemSpider ID4709309

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-4-[2,3-Dihydro-1,4-benzodioxin-6-yl(hydroxy)methylen]-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1-[3-(1H-imidazol-1-yl)propyl]-2,3-pyrrolidindion [German] [ACD/IUPAC Name]
(4E)-4-[2,3-Dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1-[3-(1H-imidazol-1-yl)propyl]-2,3-pyrrolidinedione [ACD/IUPAC Name]
1H-imidazolium, 1-[3-[(3E)-3-[(2,3-dihydro-1,4-benzodioxin-6-yl)hydroxymethylene]-2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4,5-dioxo-1-pyrrolidinyl]propyl]-, inner salt
2,3-Pyrrolidinedione, 4-[(2,3-dihydro-1,4-benzodioxin-6-yl)hydroxymethylene]-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1-[3-(1H-imidazol-1-yl)propyl]-, (4E)- [ACD/Index Name]
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
1026813-09-1 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 760.1±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 116.2±3.0 kJ/mol
    Flash Point: 413.5±35.7 °C
    Index of Refraction: 1.616
    Molar Refractivity: 155.8±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 1
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 3
    ACD/LogP: 5.12
    ACD/LogD (pH 5.5): 2.11
    ACD/BCF (pH 5.5): 10.79
    ACD/KOC (pH 5.5): 75.88
    ACD/LogD (pH 7.4): 3.26
    ACD/BCF (pH 7.4): 154.62
    ACD/KOC (pH 7.4): 1087.62
    Polar Surface Area: 112 Å2
    Polarizability: 61.8±0.5 10-24cm3
    Surface Tension: 48.3±7.0 dyne/cm
    Molar Volume: 445.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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