ChemSpider 2D Image | (3'R,4a'R)-9'-Bromo-3'-phenyl-2',3',4',4a'-tetrahydro-1'H,2H,6H,6'H-spiro[cyclohexane-1,5'-pyrido[1,2-a]quinoline]-2,6-dione | C24H24BrNO2

(3'R,4a'R)-9'-Bromo-3'-phenyl-2',3',4',4a'-tetrahydro-1'H,2H,6H,6'H-spiro[cyclohexane-1,5'-pyrido[1,2-a]quinoline]-2,6-dione

  • Molecular FormulaC24H24BrNO2
  • Average mass438.357 Da
  • Monoisotopic mass437.099030 Da
  • ChemSpider ID62634558

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3'R,4a'R)-9'-Bromo-3'-phenyl-2',3',4',4a'-tetrahydro-1'H,2H,6H,6'H-spiro[cyclohexane-1,5'-pyrido[1,2-a]quinoline]-2,6-dione [ACD/IUPAC Name]
Spiro[1H-benzo[c]quinolizine-5(6H),1'-cyclohexane]-2',6'-dione, 9-bromo-2,3,4,4a-tetrahydro-3-phenyl-, (3R,4aR)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 618.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 327.5±31.5 °C
Index of Refraction: 1.664
Molar Refractivity: 112.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 6222.81
ACD/KOC (pH 5.5): 18064.52
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 6247.79
ACD/KOC (pH 7.4): 18137.02
Polar Surface Area: 37 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 60.7±5.0 dyne/cm
Molar Volume: 303.7±5.0 cm3

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