ChemSpider 2D Image | (4E)-4-[(4-Butoxy-3-methylphenyl)(hydroxy)methylene]-1-[3-(4-morpholinyl)propyl]-5-(3-nitrophenyl)-2,3-pyrrolidinedione | C29H35N3O7

(4E)-4-[(4-Butoxy-3-methylphenyl)(hydroxy)methylene]-1-[3-(4-morpholinyl)propyl]-5-(3-nitrophenyl)-2,3-pyrrolidinedione

  • Molecular FormulaC29H35N3O7
  • Average mass537.604 Da
  • Monoisotopic mass537.247498 Da
  • ChemSpider ID4750626

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-4-[(4-Butoxy-3-methylphenyl)(hydroxy)methylen]-1-[3-(4-morpholinyl)propyl]-5-(3-nitrophenyl)-2,3-pyrrolidindion [German] [ACD/IUPAC Name]
(4E)-4-[(4-Butoxy-3-methylphenyl)(hydroxy)methylene]-1-[3-(4-morpholinyl)propyl]-5-(3-nitrophenyl)-2,3-pyrrolidinedione [ACD/IUPAC Name]
(4E)-4-[(4-Butoxy-3-méthylphényl)(hydroxy)méthylène]-1-[3-(4-morpholinyl)propyl]-5-(3-nitrophényl)-2,3-pyrrolidinedione [French] [ACD/IUPAC Name]
2,3-Pyrrolidinedione, 4-[(4-butoxy-3-methylphenyl)hydroxymethylene]-1-[3-(4-morpholinyl)propyl]-5-(3-nitrophenyl)-, (4E)- [ACD/Index Name]
(E)-(4-butoxy-3-methylphenyl)-[1-(3-morpholin-4-ium-4-ylpropyl)-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene]methanolate
(E)-(4-butoxy-3-methylphenyl){1-[3-(morpholin-4-ium-4-yl)propyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}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: 707.4±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 108.7±3.0 kJ/mol
    Flash Point: 381.6±35.7 °C
    Index of Refraction: 1.597
    Molar Refractivity: 145.1±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 1
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 4.76
    ACD/LogD (pH 5.5): 1.00
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 7.54
    ACD/LogD (pH 7.4): 0.60
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.04
    Polar Surface Area: 125 Å2
    Polarizability: 57.5±0.5 10-24cm3
    Surface Tension: 53.5±3.0 dyne/cm
    Molar Volume: 425.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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