ChemSpider 2D Image | (4E)-5-(4-Bromophenyl)-1-[3-(dimethylamino)propyl]-4-[hydroxy(4-isobutoxy-2-methylphenyl)methylene]-2,3-pyrrolidinedione | C27H33BrN2O4

(4E)-5-(4-Bromophenyl)-1-[3-(dimethylamino)propyl]-4-[hydroxy(4-isobutoxy-2-methylphenyl)methylene]-2,3-pyrrolidinedione

  • Molecular FormulaC27H33BrN2O4
  • Average mass529.466 Da
  • Monoisotopic mass528.162354 Da
  • ChemSpider ID4731833

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-5-(4-Bromophenyl)-1-[3-(dimethylamino)propyl]-4-[hydroxy(4-isobutoxy-2-methylphenyl)methylene]-2,3-pyrrolidinedione [ACD/IUPAC Name]
(4E)-5-(4-Bromophényl)-1-[3-(diméthylamino)propyl]-4-[hydroxy(4-isobutoxy-2-méthylphényl)méthylène]-2,3-pyrrolidinedione [French] [ACD/IUPAC Name]
(4E)-5-(4-Bromphenyl)-1-[3-(dimethylamino)propyl]-4-[hydroxy(4-isobutoxy-2-methylphenyl)methylen]-2,3-pyrrolidindion [German] [ACD/IUPAC Name]
2,3-Pyrrolidinedione, 5-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-4-[hydroxy[2-methyl-4-(2-methylpropoxy)phenyl]methylene]-, (4E)- [ACD/Index Name]
(E)-[2-(4-bromophenyl)-1-[3-(dimethylazaniumyl)propyl]-4,5-dioxopyrrolidin-3-ylidene]-[2-methyl-4-(2-methylpropoxy)phenyl]methanolate
(E)-{2-(4-bromophenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}[2-methyl-4-(2-methylpropoxy)phenyl]methanolate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 635.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 98.7±3.0 kJ/mol
    Flash Point: 338.2±34.3 °C
    Index of Refraction: 1.592
    Molar Refractivity: 137.5±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 6.01
    ACD/LogD (pH 5.5): 2.06
    ACD/BCF (pH 5.5): 5.36
    ACD/KOC (pH 5.5): 22.12
    ACD/LogD (pH 7.4): 2.09
    ACD/BCF (pH 7.4): 5.68
    ACD/KOC (pH 7.4): 23.44
    Polar Surface Area: 70 Å2
    Polarizability: 54.5±0.5 10-24cm3
    Surface Tension: 48.6±3.0 dyne/cm
    Molar Volume: 406.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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