ChemSpider 2D Image | (4E)-1-[2-(Diethylamino)ethyl]-4-[hydroxy(4-isobutoxy-3-methylphenyl)methylene]-5-(3-phenoxyphenyl)-2,3-pyrrolidinedione | C34H40N2O5

(4E)-1-[2-(Diethylamino)ethyl]-4-[hydroxy(4-isobutoxy-3-methylphenyl)methylene]-5-(3-phenoxyphenyl)-2,3-pyrrolidinedione

  • Molecular FormulaC34H40N2O5
  • Average mass556.692 Da
  • Monoisotopic mass556.293701 Da
  • ChemSpider ID4736955

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-1-[2-(Diethylamino)ethyl]-4-[hydroxy(4-isobutoxy-3-methylphenyl)methylen]-5-(3-phenoxyphenyl)-2,3-pyrrolidindion [German] [ACD/IUPAC Name]
(4E)-1-[2-(Diethylamino)ethyl]-4-[hydroxy(4-isobutoxy-3-methylphenyl)methylene]-5-(3-phenoxyphenyl)-2,3-pyrrolidinedione [ACD/IUPAC Name]
(4E)-1-[2-(Diéthylamino)éthyl]-4-[hydroxy(4-isobutoxy-3-méthylphényl)méthylène]-5-(3-phénoxyphényl)-2,3-pyrrolidinedione [French] [ACD/IUPAC Name]
2,3-Pyrrolidinedione, 1-[2-(diethylamino)ethyl]-4-[hydroxy[3-methyl-4-(2-methylpropoxy)phenyl]methylene]-5-(3-phenoxyphenyl)-, (4E)- [ACD/Index Name]
(E)-[1-[2-(diethylazaniumyl)ethyl]-4,5-dioxo-2-(3-phenoxyphenyl)pyrrolidin-3-ylidene]-[3-methyl-4-(2-methylpropoxy)phenyl]methanolate
(E)-{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(3-phenoxyphenyl)pyrrolidin-3-ylidene}[3-methyl-4-(2-methylpropoxy)phenyl]methanolate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 683.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 105.3±3.0 kJ/mol
    Flash Point: 367.3±34.3 °C
    Index of Refraction: 1.589
    Molar Refractivity: 160.9±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: 8.17
    ACD/LogD (pH 5.5): 3.23
    ACD/BCF (pH 5.5): 41.70
    ACD/KOC (pH 5.5): 96.05
    ACD/LogD (pH 7.4): 3.26
    ACD/BCF (pH 7.4): 44.38
    ACD/KOC (pH 7.4): 102.22
    Polar Surface Area: 79 Å2
    Polarizability: 63.8±0.5 10-24cm3
    Surface Tension: 47.7±3.0 dyne/cm
    Molar Volume: 477.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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