ChemSpider 2D Image | (4E)-4-{[4-(Benzyloxy)-3-methylphenyl](hydroxy)methylene}-1-[3-(4-morpholinyl)propyl]-5-(4-pyridinyl)-2,3-pyrrolidinedione | C31H33N3O5

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

  • Molecular FormulaC31H33N3O5
  • Average mass527.611 Da
  • Monoisotopic mass527.242004 Da
  • ChemSpider ID4667256

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-4-{[4-(Benzyloxy)-3-methylphenyl](hydroxy)methylen}-1-[3-(4-morpholinyl)propyl]-5-(4-pyridinyl)-2,3-pyrrolidindion [German] [ACD/IUPAC Name]
(4E)-4-{[4-(Benzyloxy)-3-methylphenyl](hydroxy)methylene}-1-[3-(4-morpholinyl)propyl]-5-(4-pyridinyl)-2,3-pyrrolidinedione [ACD/IUPAC Name]
(4E)-4-{[4-(Benzyloxy)-3-méthylphényl](hydroxy)méthylène}-1-[3-(4-morpholinyl)propyl]-5-(4-pyridinyl)-2,3-pyrrolidinedione [French] [ACD/IUPAC Name]
2,3-Pyrrolidinedione, 4-[hydroxy[3-methyl-4-(phenylmethoxy)phenyl]methylene]-1-[3-(4-morpholinyl)propyl]-5-(4-pyridinyl)-, (4E)- [ACD/Index Name]
(E)-(3-methyl-4-phenylmethoxyphenyl)-[1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-2-pyridin-4-ylpyrrolidin-3-ylidene]methanolate
(E)-[4-(benzyloxy)-3-methylphenyl]{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(pyridin-4-yl)pyrrolidin-3-ylidene}methanolate
489415-96-5 [RN]
SBC-115076

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 726.0±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 111.3±3.0 kJ/mol
    Flash Point: 392.9±35.7 °C
    Index of Refraction: 1.621
    Molar Refractivity: 147.2±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 3.60
    ACD/LogD (pH 5.5): 0.63
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.60
    ACD/LogD (pH 7.4): 0.26
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.98
    Polar Surface Area: 92 Å2
    Polarizability: 58.4±0.5 10-24cm3
    Surface Tension: 55.9±3.0 dyne/cm
    Molar Volume: 418.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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