ChemSpider 2D Image | (2S,3S)-2-[3-(4-Chlorophenyl)-1,2-oxazol-5-yl]-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane | C24H25ClN2O

(2S,3S)-2-[3-(4-Chlorophenyl)-1,2-oxazol-5-yl]-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane

  • Molecular FormulaC24H25ClN2O
  • Average mass392.921 Da
  • Monoisotopic mass392.165527 Da
  • ChemSpider ID25043712

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(2S,3S)-2-[3-(4-Chlorophenyl)-1,2-oxazol-5-yl]-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane [ACD/IUPAC Name]
(2S,3S)-2-[3-(4-Chlorophényl)-1,2-oxazol-5-yl]-8-méthyl-3-(4-méthylphényl)-8-azabicyclo[3.2.1]octane [French] [ACD/IUPAC Name]
(2S,3S)-2-[3-(4-Chlorphenyl)-1,2-oxazol-5-yl]-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan [German] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane, 2-[3-(4-chlorophenyl)-5-isoxazolyl]-8-methyl-3-(4-methylphenyl)-, (2S,3S)- [ACD/Index Name]
CHEMBL471696

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

Density: 1.2±0.1 g/cm3
Boiling Point: 536.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 278.2±30.1 °C
Index of Refraction: 1.591
Molar Refractivity: 112.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 2.72
ACD/KOC (pH 5.5): 9.45
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 8.34
ACD/KOC (pH 7.4): 28.91
Polar Surface Area: 29 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 331.9±3.0 cm3

Click to predict properties on the Chemicalize site


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