ChemSpider 2D Image | Ethyl 4-[(E)-hydroxy{2-(2-methoxyphenyl)-1-[3-(4-morpholinyl)propyl]-4,5-dioxo-3-pyrrolidinylidene}methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate | C28H35N3O7

Ethyl 4-[(E)-hydroxy{2-(2-methoxyphenyl)-1-[3-(4-morpholinyl)propyl]-4,5-dioxo-3-pyrrolidinylidene}methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

  • Molecular FormulaC28H35N3O7
  • Average mass525.593 Da
  • Monoisotopic mass525.247498 Da
  • ChemSpider ID4718495

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrrole-2-carboxylic acid, 4-[(E)-hydroxy[2-(2-methoxyphenyl)-1-[3-(4-morpholinyl)propyl]-4,5-dioxo-3-pyrrolidinylidene]methyl]-3,5-dimethyl-, ethyl ester [ACD/Index Name]
4-[(E)-Hydroxy{2-(2-méthoxyphényl)-1-[3-(4-morpholinyl)propyl]-4,5-dioxo-3-pyrrolidinylidène}méthyl]-3,5-diméthyl-1H-pyrrole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[(E)-hydroxy{2-(2-methoxyphenyl)-1-[3-(4-morpholinyl)propyl]-4,5-dioxo-3-pyrrolidinylidene}methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Ethyl-4-[(E)-hydroxy{2-(2-methoxyphenyl)-1-[3-(4-morpholinyl)propyl]-4,5-dioxo-3-pyrrolidinyliden}methyl]-3,5-dimethyl-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]
(E)-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-[2-(2-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]methanolate
(E)-[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]{2-(2-methoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-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: 708.9±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 108.9±3.0 kJ/mol
    Flash Point: 382.5±35.7 °C
    Index of Refraction: 1.594
    Molar Refractivity: 140.3±0.3 cm3
    #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: 121 Å2
    Polarizability: 55.6±0.5 10-24cm3
    Surface Tension: 53.5±3.0 dyne/cm
    Molar Volume: 413.5±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement