ChemSpider 2D Image | (4E)-4-{[4-(Benzyloxy)-3-methylphenyl](hydroxy)methylene}-1-[3-(dimethylamino)propyl]-5-(3-phenoxyphenyl)-2,3-pyrrolidinedione | C36H36N2O5

(4E)-4-{[4-(Benzyloxy)-3-methylphenyl](hydroxy)methylene}-1-[3-(dimethylamino)propyl]-5-(3-phenoxyphenyl)-2,3-pyrrolidinedione

  • Molecular FormulaC36H36N2O5
  • Average mass576.681 Da
  • Monoisotopic mass576.262451 Da
  • ChemSpider ID4783998

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-4-{[4-(Benzyloxy)-3-methylphenyl](hydroxy)methylen}-1-[3-(dimethylamino)propyl]-5-(3-phenoxyphenyl)-2,3-pyrrolidindion [German] [ACD/IUPAC Name]
(4E)-4-{[4-(Benzyloxy)-3-methylphenyl](hydroxy)methylene}-1-[3-(dimethylamino)propyl]-5-(3-phenoxyphenyl)-2,3-pyrrolidinedione [ACD/IUPAC Name]
(4E)-4-{[4-(Benzyloxy)-3-méthylphényl](hydroxy)méthylène}-1-[3-(diméthylamino)propyl]-5-(3-phénoxyphényl)-2,3-pyrrolidinedione [French] [ACD/IUPAC Name]
2,3-Pyrrolidinedione, 1-[3-(dimethylamino)propyl]-4-[hydroxy[3-methyl-4-(phenylmethoxy)phenyl]methylene]-5-(3-phenoxyphenyl)-, (4E)- [ACD/Index Name]
(E)-[1-[3-(dimethylazaniumyl)propyl]-4,5-dioxo-2-(3-phenoxyphenyl)pyrrolidin-3-ylidene]-(3-methyl-4-phenylmethoxyphenyl)methanolate
(E)-[4-(benzyloxy)-3-methylphenyl]{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(3-phenoxyphenyl)pyrrolidin-3-ylidene}methanolate
QGOHNTPJBJJKHG-NWBJSICCSA-N

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

AF-399/41703688 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 727.5±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 111.5±3.0 kJ/mol
    Flash Point: 393.8±35.7 °C
    Index of Refraction: 1.626
    Molar Refractivity: 166.9±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 7.48
    ACD/LogD (pH 5.5): 3.34
    ACD/BCF (pH 5.5): 49.94
    ACD/KOC (pH 5.5): 109.33
    ACD/LogD (pH 7.4): 3.36
    ACD/BCF (pH 7.4): 52.93
    ACD/KOC (pH 7.4): 115.87
    Polar Surface Area: 79 Å2
    Polarizability: 66.2±0.5 10-24cm3
    Surface Tension: 52.6±3.0 dyne/cm
    Molar Volume: 471.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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