ChemSpider 2D Image | (E)-[5-(Ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]{2-(3-methoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-3-pyrrolidinylidene}methanolate | C28H35N3O7

(E)-[5-(Ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]{2-(3-methoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-3-pyrrolidinylidene}methanolate

  • Molecular FormulaC28H35N3O7
  • Average mass525.593 Da
  • Monoisotopic mass525.247498 Da
  • ChemSpider ID4772186

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-[5-(Ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]{2-(3-methoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-3-pyrrolidinyliden}methanolat [German] [ACD/IUPAC Name]
(E)-[5-(Ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]{2-(3-methoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-3-pyrrolidinylidene}methanolate [ACD/IUPAC Name]
(E)-[5-(Éthoxycarbonyl)-2,4-diméthyl-1H-pyrrol-3-yl]{2-(3-méthoxyphényl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-3-pyrrolidinylidène}méthanolate [French] [ACD/IUPAC Name]
Morpholinium, 4-[3-[(3E)-3-[[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]hydroxymethylene]-2-(3-methoxyphenyl)-4,5-dioxo-1-pyrrolidinyl]propyl]-, inner salt [ACD/Index Name]
(E)-[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]{2-(3-methoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
ethyl 4-[(E)-hydroxy-[2-(3-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

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

    Density:
    Boiling Point: 715.9±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 109.8±3.0 kJ/mol
    Flash Point: 386.8±35.7 °C
    Index of Refraction:
    Molar Refractivity:
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 4.37
    ACD/LogD (pH 5.5): 0.47
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.91
    ACD/LogD (pH 7.4): 0.08
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.58
    Polar Surface Area: 125 Å2
    Polarizability:
    Surface Tension:
    Molar Volume:

    Click to predict properties on the Chemicalize site


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