ChemSpider 2D Image | Methyl (4Z)-1-[4-(ethoxycarbonyl)phenyl]-4-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate | C29H27FN2O5

Methyl (4Z)-1-[4-(ethoxycarbonyl)phenyl]-4-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

  • Molecular FormulaC29H27FN2O5
  • Average mass502.534 Da
  • Monoisotopic mass502.190399 Da
  • ChemSpider ID21818827

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z)-1-[4-(Éthoxycarbonyl)phényl]-4-{[1-(4-fluorophényl)-2,5-diméthyl-1H-pyrrol-3-yl]méthylène}-2-méthyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrrole-3-carboxylic acid, 1-[4-(ethoxycarbonyl)phenyl]-4-[[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene]-4,5-dihydro-2-methyl-5-oxo-, methyl ester, (4Z)- [ACD/Index Name]
Methyl (4Z)-1-[4-(ethoxycarbonyl)phenyl]-4-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate [ACD/IUPAC Name]
Methyl-(4Z)-1-[4-(ethoxycarbonyl)phenyl]-4-{[1-(4-fluorphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylen}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrol-3-carboxylat [German] [ACD/IUPAC Name]
(Z)-methyl 1-(4-(ethoxycarbonyl)phenyl)-4-((1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
1-(4-Ethoxycarbonyl-phenyl)-4-[1-(4-fluoro-phenyl)-2,5-dimethyl-1H-pyrrol-3-ylmethylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylic acid methyl ester
723315-97-7 [RN]
methyl (4Z)-1-(4-ethoxycarbonylphenyl)-4-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-methyl-5-oxopyrrole-3-carboxylate
methyl (4Z)-1-[4-(ethoxycarbonyl)phenyl]-4-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-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: 655.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 96.5±3.0 kJ/mol
    Flash Point: 350.0±31.5 °C
    Index of Refraction: 1.590
    Molar Refractivity: 138.2±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 5.86
    ACD/LogD (pH 5.5): 4.99
    ACD/BCF (pH 5.5): 3631.14
    ACD/KOC (pH 5.5): 12299.07
    ACD/LogD (pH 7.4): 4.99
    ACD/BCF (pH 7.4): 3631.14
    ACD/KOC (pH 7.4): 12299.07
    Polar Surface Area: 78 Å2
    Polarizability: 54.8±0.5 10-24cm3
    Surface Tension: 41.7±7.0 dyne/cm
    Molar Volume: 409.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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