ChemSpider 2D Image | 3-Bromo-2-[4-(4-fluorophenyl)-1-piperazinyl]-7,7-dimethyl-7,8-dihydro-5(6H)-quinolinone | C21H23BrFN3O

3-Bromo-2-[4-(4-fluorophenyl)-1-piperazinyl]-7,7-dimethyl-7,8-dihydro-5(6H)-quinolinone

  • Molecular FormulaC21H23BrFN3O
  • Average mass432.329 Da
  • Monoisotopic mass431.100861 Da
  • ChemSpider ID23310522

More details:

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

3-Brom-2-[4-(4-fluorphenyl)-1-piperazinyl]-7,7-dimethyl-7,8-dihydro-5(6H)-chinolinon [German] [ACD/IUPAC Name]
3-Bromo-2-[4-(4-fluorophényl)-1-pipérazinyl]-7,7-diméthyl-7,8-dihydro-5(6H)-quinoléinone [French] [ACD/IUPAC Name]
3-Bromo-2-[4-(4-fluorophenyl)-1-piperazinyl]-7,7-dimethyl-7,8-dihydro-5(6H)-quinolinone [ACD/IUPAC Name]
3-bromo-2-[4-(4-fluorophenyl)piperazin-1-yl]-7,7-dimethyl-7,8-dihydroquinolin-5(6H)-one
5(6H)-Quinolinone, 3-bromo-2-[4-(4-fluorophenyl)-1-piperazinyl]-7,8-dihydro-7,7-dimethyl- [ACD/Index Name]
3-bromo-2-[4-(4-fluoro-phenyl)-piperazin-1-yl]-7,7-dimethyl-7,8-dihydro-6H-quinolin-5-one
CHEMBL398724
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL398724/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 575.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 301.8±30.1 °C
Index of Refraction: 1.598
Molar Refractivity: 106.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.09
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 5716.35
ACD/KOC (pH 5.5): 15150.09
ACD/LogD (pH 7.4): 5.48
ACD/BCF (pH 7.4): 8553.09
ACD/KOC (pH 7.4): 22668.31
Polar Surface Area: 36 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 312.3±3.0 cm3

Click to predict properties on the Chemicalize site


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