ChemSpider 2D Image | 3-(2-Chlorophenyl)-3-(1H-indol-3-yl)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-1-propanone | C27H31ClN2O

3-(2-Chlorophenyl)-3-(1H-indol-3-yl)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-1-propanone

  • Molecular FormulaC27H31ClN2O
  • Average mass435.001 Da
  • Monoisotopic mass434.212494 Da
  • ChemSpider ID21579778

More details:

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

1-Propanone, 3-(2-chlorophenyl)-3-(1H-indol-3-yl)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)- [ACD/Index Name]
3-(2-Chlorophenyl)-3-(1H-indol-3-yl)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-1-propanone [ACD/IUPAC Name]
3-(2-Chlorophényl)-3-(1H-indol-3-yl)-1-(1,3,3-triméthyl-6-azabicyclo[3.2.1]oct-6-yl)-1-propanone [French] [ACD/IUPAC Name]
3-(2-Chlorphenyl)-3-(1H-indol-3-yl)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-1-propanon [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 609.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 322.1±31.5 °C
Index of Refraction: 1.619
Molar Refractivity: 127.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.05
ACD/LogD (pH 5.5): 6.47
ACD/BCF (pH 5.5): 48323.39
ACD/KOC (pH 5.5): 78433.52
ACD/LogD (pH 7.4): 6.47
ACD/BCF (pH 7.4): 48323.60
ACD/KOC (pH 7.4): 78433.86
Polar Surface Area: 36 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 363.9±3.0 cm3

Click to predict properties on the Chemicalize site


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