ChemSpider 2D Image | Methyl 4-({1-[2-(diethylamino)ethyl]-4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate | C27H33N3O7

Methyl 4-({1-[2-(diethylamino)ethyl]-4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

  • Molecular FormulaC27H33N3O7
  • Average mass511.567 Da
  • Monoisotopic mass511.231842 Da
  • ChemSpider ID12280633

More details:

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

1H-Pyrrole-2-carboxylic acid, 4-[[1-[2-(diethylamino)ethyl]-2,5-dihydro-4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-5-oxo-1H-pyrrol-3-yl]carbonyl]-3,5-dimethyl-, methyl ester [ACD/Index Name]
4-({1-[2-(Diéthylamino)éthyl]-4-hydroxy-2-[4-(méthoxycarbonyl)phényl]-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-({1-[2-(diethylamino)ethyl]-4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Methyl-4-({1-[2-(diethylamino)ethyl]-4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-3,5-dimethyl-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]
4-[1-(2-Diethylamino-ethyl)-4-hydroxy-2-(4-methoxycarbonyl-phenyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid methyl ester
577763-85-0 [RN]
methyl 4-({1-[2-(diethylamino)ethyl]-4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-5-oxo(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate
methyl 4-(1-(2-(diethylamino)ethyl)-4-hydroxy-2-(4-(methoxycarbonyl)phenyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-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: 722.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 110.8±3.0 kJ/mol
    Flash Point: 390.9±32.9 °C
    Index of Refraction: 1.597
    Molar Refractivity: 136.6±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: 4.17
    ACD/LogD (pH 5.5): 0.69
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.98
    ACD/LogD (pH 7.4): 0.72
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.26
    Polar Surface Area: 129 Å2
    Polarizability: 54.2±0.5 10-24cm3
    Surface Tension: 55.0±3.0 dyne/cm
    Molar Volume: 401.3±3.0 cm3

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