ChemSpider 2D Image | Methyl 4-[(E)-{1-[3-(diethylamino)propyl]-2-(2,5-dimethoxyphenyl)-4,5-dioxo-3-pyrrolidinylidene}(hydroxy)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate | C28H37N3O7

Methyl 4-[(E)-{1-[3-(diethylamino)propyl]-2-(2,5-dimethoxyphenyl)-4,5-dioxo-3-pyrrolidinylidene}(hydroxy)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

  • Molecular FormulaC28H37N3O7
  • Average mass527.609 Da
  • Monoisotopic mass527.263123 Da
  • ChemSpider ID4736121

  • 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)-[1-[3-(diethylamino)propyl]-2-(2,5-dimethoxyphenyl)-4,5-dioxo-3-pyrrolidinylidene]hydroxymethyl]-3,5-dimethyl-, methyl ester [ACD/Index Name]
4-[(E)-{1-[3-(Diéthylamino)propyl]-2-(2,5-diméthoxyphényl)-4,5-dioxo-3-pyrrolidinylidène}(hydroxy)méthyl]-3,5-diméthyl-1H-pyrrole-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-[(E)-{1-[3-(diethylamino)propyl]-2-(2,5-dimethoxyphenyl)-4,5-dioxo-3-pyrrolidinylidene}(hydroxy)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Methyl-4-[(E)-{1-[3-(diethylamino)propyl]-2-(2,5-dimethoxyphenyl)-4,5-dioxo-3-pyrrolidinyliden}(hydroxy)methyl]-3,5-dimethyl-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]
(E)-[1-[3-(diethylazaniumyl)propyl]-2-(2,5-dimethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene]-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methanolate
(E)-{1-[3-(diethylammonio)propyl]-2-(2,5-dimethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 685.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 105.6±3.0 kJ/mol
    Flash Point: 368.3±34.3 °C
    Index of Refraction: 1.580
    Molar Refractivity: 143.0±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 3
    ACD/LogP: 5.26
    ACD/LogD (pH 5.5): 1.18
    ACD/BCF (pH 5.5): 1.14
    ACD/KOC (pH 5.5): 7.30
    ACD/LogD (pH 7.4): 1.21
    ACD/BCF (pH 7.4): 1.22
    ACD/KOC (pH 7.4): 7.81
    Polar Surface Area: 121 Å2
    Polarizability: 56.7±0.5 10-24cm3
    Surface Tension: 50.6±3.0 dyne/cm
    Molar Volume: 429.7±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement