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

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

  • Molecular FormulaC29H24BrN3O4
  • Average mass558.423 Da
  • Monoisotopic mass557.095032 Da
  • ChemSpider ID32821858

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Pyrazole-1-butanoic acid, 5-(4-bromophenyl)-3-[(3R)-2,3-dihydro-6-methyl-2-oxo-4-phenyl-3-quinolinyl]-4,5-dihydro-γ-oxo-, (5R)- [ACD/Index Name]
4-{(5R)-5-(4-Bromophenyl)-3-[(3R)-6-methyl-2-oxo-4-phenyl-2,3-dihydro-3-quinolinyl]-4,5-dihydro-1H-pyrazol-1-yl}-4-oxobutanoic acid [ACD/IUPAC Name]
4-{(5R)-5-(4-Bromphenyl)-3-[(3R)-6-methyl-2-oxo-4-phenyl-2,3-dihydro-3-chinolinyl]-4,5-dihydro-1H-pyrazol-1-yl}-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-{(5R)-5-(4-bromophényl)-3-[(3R)-6-méthyl-2-oxo-4-phényl-2,3-dihydro-3-quinoléinyl]-4,5-dihydro-1H-pyrazol-1-yl}-4-oxobutanoïque [French] [ACD/IUPAC Name]
380560-89-4 [RN]
4-((R)-5-(4-bromophenyl)-3-((R)-6-methyl-2-oxo-4-phenyl-2,3-dihydroquinolin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid
DQP 1105

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

Density: 1.5±0.1 g/cm3
Boiling Point: 758.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.0±3.0 kJ/mol
Flash Point: 412.7±35.7 °C
Index of Refraction: 1.691
Molar Refractivity: 144.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 48.38
ACD/KOC (pH 5.5): 329.75
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.28
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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