ChemSpider 2D Image | Methyl 4-({1-[3-(diethylamino)propyl]-2-(2,3-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate | C28H37N3O7

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

  • Molecular FormulaC28H37N3O7
  • Average mass527.609 Da
  • Monoisotopic mass527.263123 Da
  • ChemSpider ID21523890

More details:

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

1H-Pyrrole-2-carboxylic acid, 4-[[1-[3-(diethylamino)propyl]-2-(2,3-dimethoxyphenyl)-2,5-dihydro-4-hydroxy-5-oxo-1H-pyrrol-3-yl]carbonyl]-3,5-dimethyl-, methyl ester [ACD/Index Name]
4-({1-[3-(Diéthylamino)propyl]-2-(2,3-diméthoxyphényl)-4-hydroxy-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-[3-(diethylamino)propyl]-2-(2,3-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Methyl-4-({1-[3-(diethylamino)propyl]-2-(2,3-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-3,5-dimethyl-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]
797015-91-9 [RN]
AC1MSRC9
AGN-PC-05E6OA
methyl 4-(1-(3-(diethylamino)propyl)-2-(2,3-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[[(2S)-1-[3-(diethylamino)propyl]-2-(2,3-dimethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[[1-[3-(diethylamino)propyl]-2-(2,3-dimethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 712.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 109.4±3.0 kJ/mol
    Flash Point: 384.7±32.9 °C
    Index of Refraction: 1.582
    Molar Refractivity: 142.8±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 2
    ACD/LogP: 4.05
    ACD/LogD (pH 5.5): 0.53
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.26
    ACD/LogD (pH 7.4): 0.56
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.49
    Polar Surface Area: 121 Å2
    Polarizability: 56.6±0.5 10-24cm3
    Surface Tension: 51.5±3.0 dyne/cm
    Molar Volume: 427.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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