ChemSpider 2D Image | 4-[5-(3-Bromophenyl)-3-(6-methyl-2-oxo-4-phenyl-1,2-dihydro-3-quinolinyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid | C29H24BrN3O4

4-[5-(3-Bromophenyl)-3-(6-methyl-2-oxo-4-phenyl-1,2-dihydro-3-quinolinyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

  • Molecular FormulaC29H24BrN3O4
  • Average mass558.423 Da
  • Monoisotopic mass557.095032 Da
  • ChemSpider ID30296980

More details:

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

1H-Pyrazole-1-butanoic acid, 5-(3-bromophenyl)-3-(1,2-dihydro-6-methyl-2-oxo-4-phenyl-3-quinolinyl)-4,5-dihydro-γ-oxo- [ACD/Index Name]
4-[5-(3-Bromophenyl)-3-(6-methyl-2-oxo-4-phenyl-1,2-dihydro-3-quinolinyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid [ACD/IUPAC Name]
4-[5-(3-Bromphenyl)-3-(6-methyl-2-oxo-4-phenyl-1,2-dihydro-3-chinolinyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-[5-(3-bromophényl)-3-(6-méthyl-2-oxo-4-phényl-1,2-dihydro-3-quinoléinyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoïque [French] [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.691
Molar Refractivity: 144.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 65.50
ACD/KOC (pH 5.5): 410.00
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 1.05
ACD/KOC (pH 7.4): 6.56
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

Click to predict properties on the Chemicalize site


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