ChemSpider 2D Image | 4-[5-(4-Bromophenyl)-3-(6-methyl-2-oxo-4-phenyl-3(2H)-quinolinylidene)-1-pyrazolidinyl]-4-oxobutanoic acid | C29H24BrN3O4

4-[5-(4-Bromophenyl)-3-(6-methyl-2-oxo-4-phenyl-3(2H)-quinolinylidene)-1-pyrazolidinyl]-4-oxobutanoic acid

  • Molecular FormulaC29H24BrN3O4
  • Average mass558.423 Da
  • Monoisotopic mass557.095032 Da
  • ChemSpider ID5224948

More details:






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

1-Pyrazolidinebutanoic acid, 5-(4-bromophenyl)-3-(6-methyl-2-oxo-4-phenyl-3(2H)-quinolinylidene)-γ-oxo- [ACD/Index Name]
4-[5-(4-Bromophenyl)-3-(6-methyl-2-oxo-4-phenyl-3(2H)-quinolinylidene)-1-pyrazolidinyl]-4-oxobutanoic acid [ACD/IUPAC Name]
4-[5-(4-Bromphenyl)-3-(6-methyl-2-oxo-4-phenyl-3(2H)-chinolinyliden)-1-pyrazolidinyl]-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-[5-(4-bromophényl)-3-(6-méthyl-2-oxo-4-phényl-3(2H)-quinoléinylidène)-1-pyrazolidinyl]-4-oxobutanoïque [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 701.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 378.1±35.7 °C
Index of Refraction: 1.691
Molar Refractivity: 144.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 246.84
ACD/KOC (pH 5.5): 987.49
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 3.89
ACD/KOC (pH 7.4): 15.55
Polar Surface Area: 99 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 56.1±7.0 dyne/cm
Molar Volume: 377.3±7.0 cm3

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