ChemSpider 2D Image | Methyl 4-({2-(4-ethoxyphenyl)-4-hydroxy-1-[3-(4-morpholinyl)propyl]-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate | C28H35N3O7

Methyl 4-({2-(4-ethoxyphenyl)-4-hydroxy-1-[3-(4-morpholinyl)propyl]-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

  • Molecular FormulaC28H35N3O7
  • Average mass525.593 Da
  • Monoisotopic mass525.247498 Da
  • ChemSpider ID12274835

More details:

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

1H-Pyrrole-2-carboxylic acid, 4-[[2-(4-ethoxyphenyl)-2,5-dihydro-4-hydroxy-1-[3-(4-morpholinyl)propyl]-5-oxo-1H-pyrrol-3-yl]carbonyl]-3,5-dimethyl-, methyl ester [ACD/Index Name]
4-({2-(4-Éthoxyphényl)-4-hydroxy-1-[3-(4-morpholinyl)propyl]-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-3,5-diméthyl-1H-pyrrole-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-({2-(4-ethoxyphenyl)-4-hydroxy-1-[3-(4-morpholinyl)propyl]-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Methyl 4-({2-(4-ethoxyphenyl)-4-hydroxy-1-[3-(morpholin-4-yl)propyl]-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Methyl-4-({2-(4-ethoxyphenyl)-4-hydroxy-1-[3-(4-morpholinyl)propyl]-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-3,5-dimethyl-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]
578736-68-2 [RN]
methyl 4-(2-(4-ethoxyphenyl)-4-hydroxy-1-(3-morpholinopropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[2-(4-ethoxyphenyl)-4-hydroxy-1-[3-(morpholin-4-yl)propyl]-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-{[2-(4-ethoxyphenyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-5-oxo(3-pyrrolin-3-yl)]carbonyl}-3,5-dimethylpyrrole-2-carboxylate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 762.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 116.5±3.0 kJ/mol
    Flash Point: 414.8±32.9 °C
    Index of Refraction: 1.597
    Molar Refractivity: 140.2±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 3.30
    ACD/LogD (pH 5.5): 0.33
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.05
    ACD/LogD (pH 7.4): 0.02
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.51
    Polar Surface Area: 121 Å2
    Polarizability: 55.6±0.5 10-24cm3
    Surface Tension: 54.4±3.0 dyne/cm
    Molar Volume: 411.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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