ChemSpider 2D Image | 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

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 ID2749442

More details:

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

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]- [ACD/Index Name]
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]
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]
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]

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): 3.95
ACD/BCF (pH 5.5): 592.29
ACD/KOC (pH 5.5): 3356.29
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 491.95
ACD/KOC (pH 7.4): 2787.71
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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