ChemSpider 2D Image | (5aR,9aR)-N-[(3S)-1-Azabicyclo[2.2.2]oct-3-yl]-2-chloro-5a,6,7,8,9,9a-hexahydrodibenzo[b,d]furan-4-carboxamide | C20H25ClN2O2

(5aR,9aR)-N-[(3S)-1-Azabicyclo[2.2.2]oct-3-yl]-2-chloro-5a,6,7,8,9,9a-hexahydrodibenzo[b,d]furan-4-carboxamide

  • Molecular FormulaC20H25ClN2O2
  • Average mass360.878 Da
  • Monoisotopic mass360.160461 Da
  • ChemSpider ID24681478

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5aR,9aR)-N-[(3S)-1-Azabicyclo[2.2.2]oct-3-yl]-2-chlor-5a,6,7,8,9,9a-hexahydrodibenzo[b,d]furan-4-carboxamid [German] [ACD/IUPAC Name]
(5aR,9aR)-N-[(3S)-1-Azabicyclo[2.2.2]oct-3-yl]-2-chloro-5a,6,7,8,9,9a-hexahydrodibenzo[b,d]furan-4-carboxamide [ACD/IUPAC Name]
(5aR,9aR)-N-[(3S)-1-Azabicyclo[2.2.2]oct-3-yl]-2-chloro-5a,6,7,8,9,9a-hexahydrodibenzo[b,d]furane-4-carboxamide [French] [ACD/IUPAC Name]
4-Dibenzofurancarboxamide, N-[(3S)-1-azabicyclo[2.2.2]oct-3-yl]-2-chloro-5a,6,7,8,9,9a-hexahydro-, (5aR,9aR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 462.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 233.6±28.7 °C
Index of Refraction: 1.631
Molar Refractivity: 97.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.13
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 1.60
ACD/KOC (pH 7.4): 10.14
Polar Surface Area: 42 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 57.1±5.0 dyne/cm
Molar Volume: 273.6±5.0 cm3

Click to predict properties on the Chemicalize site


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