ChemSpider 2D Image | (4E)-5-(4-Bromophenyl)-1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-[hydroxy(4-methylphenyl)methylene]-2,3-pyrrolidinedione | C29H24BrN3O4

(4E)-5-(4-Bromophenyl)-1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-[hydroxy(4-methylphenyl)methylene]-2,3-pyrrolidinedione

  • Molecular FormulaC29H24BrN3O4
  • Average mass558.423 Da
  • Monoisotopic mass557.095032 Da
  • ChemSpider ID4721244

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-5-(4-Bromophenyl)-1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-[hydroxy(4-methylphenyl)methylene]-2,3-pyrrolidinedione [ACD/IUPAC Name]
(4E)-5-(4-Bromophényl)-1-(1,5-diméthyl-3-oxo-2-phényl-2,3-dihydro-1H-pyrazol-4-yl)-4-[hydroxy(4-méthylphényl)méthylène]-2,3-pyrrolidinedione [French] [ACD/IUPAC Name]
(4E)-5-(4-Bromphenyl)-1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-[hydroxy(4-methylphenyl)methylen]-2,3-pyrrolidindion [German] [ACD/IUPAC Name]
2,3-Pyrrolidinedione, 5-(4-bromophenyl)-1-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-[hydroxy(4-methylphenyl)methylene]-, (4E)- [ACD/Index Name]
(4E)-5-(4-bromophenyl)-1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-[hydroxy(4-methylphenyl)methylidene]pyrrolidine-2,3-dione
(4E)-5-(4-bromophenyl)-1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[hydroxy-(4-methylphenyl)methylidene]pyrrolidine-2,3-dione
672894-75-6 [RN]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 674.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 104.0±3.0 kJ/mol
    Flash Point: 361.5±34.3 °C
    Index of Refraction: 1.692
    Molar Refractivity: 142.7±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 4.91
    ACD/LogD (pH 5.5): 2.91
    ACD/BCF (pH 5.5): 54.15
    ACD/KOC (pH 5.5): 306.88
    ACD/LogD (pH 7.4): 1.15
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 5.29
    Polar Surface Area: 81 Å2
    Polarizability: 56.6±0.5 10-24cm3
    Surface Tension: 63.6±3.0 dyne/cm
    Molar Volume: 372.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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