ChemSpider 2D Image | Methyl (5Z)-1-(3,4-dimethylphenyl)-5-(4-{2-[(2-methoxyphenyl)amino]-2-oxoethoxy}benzylidene)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate | C31H30N2O6

Methyl (5Z)-1-(3,4-dimethylphenyl)-5-(4-{2-[(2-methoxyphenyl)amino]-2-oxoethoxy}benzylidene)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

  • Molecular FormulaC31H30N2O6
  • Average mass526.580 Da
  • Monoisotopic mass526.210388 Da
  • ChemSpider ID1426696

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z)-1-(3,4-Diméthylphényl)-5-(4-{2-[(2-méthoxyphényl)amino]-2-oxoéthoxy}benzylidène)-2-méthyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrrole-3-carboxylic acid, 1-(3,4-dimethylphenyl)-4,5-dihydro-5-[[4-[2-[(2-methoxyphenyl)amino]-2-oxoethoxy]phenyl]methylene]-2-methyl-4-oxo-, methyl ester, (5Z)- [ACD/Index Name]
Methyl (5Z)-1-(3,4-dimethylphenyl)-5-(4-{2-[(2-methoxyphenyl)amino]-2-oxoethoxy}benzylidene)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate [ACD/IUPAC Name]
Methyl-(5Z)-1-(3,4-dimethylphenyl)-5-(4-{2-[(2-methoxyphenyl)amino]-2-oxoethoxy}benzyliden)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrol-3-carboxylat [German] [ACD/IUPAC Name]
(Z)-methyl 1-(3,4-dimethylphenyl)-5-(4-(2-((2-methoxyphenyl)amino)-2-oxoethoxy)benzylidene)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
1-(3,4-Dimethyl-phenyl)-5-{4-[(2-methoxy-phenylcarbamoyl)-methoxy]-benzylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylic acid methyl ester
359872-91-6 [RN]
METHYL (5Z)-1-(3,4-DIMETHYLPHENYL)-5-[[4-[2-(2-METHOXYANILINO)-2-OXOETHOXY]PHENYL]METHYLIDENE]-2-METHYL-4-OXOPYRROLE-3-CARBOXYLATE

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

BIM-0002237.P001 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 763.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 111.2±3.0 kJ/mol
    Flash Point: 415.4±32.9 °C
    Index of Refraction: 1.643
    Molar Refractivity: 149.3±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 4.48
    ACD/LogD (pH 5.5): 4.41
    ACD/BCF (pH 5.5): 1318.06
    ACD/KOC (pH 5.5): 5954.39
    ACD/LogD (pH 7.4): 4.41
    ACD/BCF (pH 7.4): 1318.16
    ACD/KOC (pH 7.4): 5954.85
    Polar Surface Area: 94 Å2
    Polarizability: 59.2±0.5 10-24cm3
    Surface Tension: 56.1±3.0 dyne/cm
    Molar Volume: 413.2±3.0 cm3

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