ChemSpider 2D Image | 3-[1-(2,2-Dimethylpropanoyl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-2(1H)-quinolinone | C29H26FN3O2

3-[1-(2,2-Dimethylpropanoyl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-2(1H)-quinolinone

  • Molecular FormulaC29H26FN3O2
  • Average mass467.534 Da
  • Monoisotopic mass467.200897 Da
  • ChemSpider ID30494554

More details:

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

2(1H)-Quinolinone, 3-[1-(2,2-dimethyl-1-oxopropyl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl- [ACD/Index Name]
3-[1-(2,2-Diméthylpropanoyl)-5-(2-fluorophényl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phényl-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-[1-(2,2-Dimethylpropanoyl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-2(1H)-quinolinone [ACD/IUPAC Name]
3-[1-(2,2-Dimethylpropanoyl)-5-(2-fluorphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-2(1H)-chinolinon [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 642.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 342.5±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 135.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 90.89
ACD/KOC (pH 5.5): 362.02
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 72.77
ACD/KOC (pH 7.4): 289.86
Polar Surface Area: 66 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 45.3±7.0 dyne/cm
Molar Volume: 376.8±7.0 cm3

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