ChemSpider 2D Image | (1R,2S,3S,5S)-3-(4-Chlorophenyl)-8-(~13~C)methyl-2-(3-phenyl-1,2-oxazol-5-yl)-8-azabicyclo[3.2.1]octane | C2213CH23ClN2O

(1R,2S,3S,5S)-3-(4-Chlorophenyl)-8-(13C)methyl-2-(3-phenyl-1,2-oxazol-5-yl)-8-azabicyclo[3.2.1]octane

  • Molecular FormulaC2213CH23ClN2O
  • Average mass379.887 Da
  • Monoisotopic mass379.153259 Da
  • ChemSpider ID8842801
  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(1R,2S,3S,5S)-3-(4-Chlorophenyl)-8-(13C)methyl-2-(3-phenyl-1,2-oxazol-5-yl)-8-azabicyclo[3.2.1]octane [ACD/IUPAC Name]
(1R,2S,3S,5S)-3-(4-Chlorophényl)-8-(13C)méthyl-2-(3-phényl-1,2-oxazol-5-yl)-8-azabicyclo[3.2.1]octane [French] [ACD/IUPAC Name]
(1R,2S,3S,5S)-3-(4-Chlorphenyl)-8-(13C)methyl-2-(3-phenyl-1,2-oxazol-5-yl)-8-azabicyclo[3.2.1]octan [German] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane, 3-(4-chlorophenyl)-8-(methyl-13C)-2-(3-phenyl-5-isoxazolyl)-, (1R,2S,3S,5S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.596
Molar Refractivity: 107.4±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 315.6±3.0 cm3

Click to predict properties on the Chemicalize site






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