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

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

  • Molecular FormulaC29H35N3O7
  • Average mass537.604 Da
  • Monoisotopic mass537.247498 Da
  • ChemSpider ID4736966

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-4-[Hydroxy(4-isobutoxy-3-methylphenyl)methylen]-1-[3-(4-morpholinyl)propyl]-5-(4-nitrophenyl)-2,3-pyrrolidindion [German] [ACD/IUPAC Name]
(4E)-4-[Hydroxy(4-isobutoxy-3-methylphenyl)methylene]-1-[3-(4-morpholinyl)propyl]-5-(4-nitrophenyl)-2,3-pyrrolidinedione [ACD/IUPAC Name]
(4E)-4-[Hydroxy(4-isobutoxy-3-méthylphényl)méthylène]-1-[3-(4-morpholinyl)propyl]-5-(4-nitrophényl)-2,3-pyrrolidinedione [French] [ACD/IUPAC Name]
2,3-Pyrrolidinedione, 4-[hydroxy[3-methyl-4-(2-methylpropoxy)phenyl]methylene]-1-[3-(4-morpholinyl)propyl]-5-(4-nitrophenyl)-, (4E)- [ACD/Index Name]
(E)-[3-methyl-4-(2-methylpropoxy)phenyl]-[1-(3-morpholin-4-ium-4-ylpropyl)-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene]methanolate
(E)-[3-methyl-4-(2-methylpropoxy)phenyl]{1-[3-(morpholin-4-ium-4-yl)propyl]-2-(4-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: 715.0±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 109.7±3.0 kJ/mol
    Flash Point: 386.2±35.7 °C
    Index of Refraction: 1.596
    Molar Refractivity: 145.0±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 4.58
    ACD/LogD (pH 5.5): 0.93
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 6.89
    ACD/LogD (pH 7.4): 0.53
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.78
    Polar Surface Area: 125 Å2
    Polarizability: 57.5±0.5 10-24cm3
    Surface Tension: 53.0±3.0 dyne/cm
    Molar Volume: 426.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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