ChemSpider 2D Image | (4E)-4-{[4-(Benzyloxy)-2-methylphenyl](hydroxy)methylene}-1-[3-(4-morpholinyl)propyl]-5-(3-phenoxyphenyl)-2,3-pyrrolidinedione | C38H38N2O6

(4E)-4-{[4-(Benzyloxy)-2-methylphenyl](hydroxy)methylene}-1-[3-(4-morpholinyl)propyl]-5-(3-phenoxyphenyl)-2,3-pyrrolidinedione

  • Molecular FormulaC38H38N2O6
  • Average mass618.718 Da
  • Monoisotopic mass618.273010 Da
  • ChemSpider ID4719836

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-4-{[4-(Benzyloxy)-2-methylphenyl](hydroxy)methylen}-1-[3-(4-morpholinyl)propyl]-5-(3-phenoxyphenyl)-2,3-pyrrolidindion [German] [ACD/IUPAC Name]
(4E)-4-{[4-(Benzyloxy)-2-methylphenyl](hydroxy)methylene}-1-[3-(4-morpholinyl)propyl]-5-(3-phenoxyphenyl)-2,3-pyrrolidinedione [ACD/IUPAC Name]
(4E)-4-{[4-(Benzyloxy)-2-méthylphényl](hydroxy)méthylène}-1-[3-(4-morpholinyl)propyl]-5-(3-phénoxyphényl)-2,3-pyrrolidinedione [French] [ACD/IUPAC Name]
2,3-Pyrrolidinedione, 4-[hydroxy[2-methyl-4-(phenylmethoxy)phenyl]methylene]-1-[3-(4-morpholinyl)propyl]-5-(3-phenoxyphenyl)-, (4E)- [ACD/Index Name]
(E)-(2-methyl-4-phenylmethoxyphenyl)-[1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-2-(3-phenoxyphenyl)pyrrolidin-3-ylidene]methanolate
(E)-[4-(benzyloxy)-2-methylphenyl]{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(3-phenoxyphenyl)pyrrolidin-3-ylidene}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: 783.9±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 119.6±3.0 kJ/mol
    Flash Point: 427.9±35.7 °C
    Index of Refraction: 1.626
    Molar Refractivity: 175.6±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 7.09
    ACD/LogD (pH 5.5): 2.87
    ACD/BCF (pH 5.5): 25.44
    ACD/KOC (pH 5.5): 79.09
    ACD/LogD (pH 7.4): 2.48
    ACD/BCF (pH 7.4): 10.26
    ACD/KOC (pH 7.4): 31.91
    Polar Surface Area: 89 Å2
    Polarizability: 69.6±0.5 10-24cm3
    Surface Tension: 53.5±3.0 dyne/cm
    Molar Volume: 495.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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