ChemSpider 2D Image | (3S)-3-(3-Fluorophenyl)-3-(1-methyl-1H-indol-3-yl)-1-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl]-1-propanone | C28H33FN2O

(3S)-3-(3-Fluorophenyl)-3-(1-methyl-1H-indol-3-yl)-1-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl]-1-propanone

  • Molecular FormulaC28H33FN2O
  • Average mass432.573 Da
  • Monoisotopic mass432.257690 Da
  • ChemSpider ID62634922

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S)-3-(3-Fluorophenyl)-3-(1-methyl-1H-indol-3-yl)-1-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl]-1-propanone [ACD/IUPAC Name]
(3S)-3-(3-Fluorophényl)-3-(1-méthyl-1H-indol-3-yl)-1-[(1S,5R)-1,3,3-triméthyl-6-azabicyclo[3.2.1]oct-6-yl]-1-propanone [French] [ACD/IUPAC Name]
(3S)-3-(3-Fluorphenyl)-3-(1-methyl-1H-indol-3-yl)-1-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl]-1-propanon [German] [ACD/IUPAC Name]
1-Propanone, 3-(3-fluorophenyl)-3-(1-methyl-1H-indol-3-yl)-1-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl]-, (3S)- [ACD/Index 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: 585.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 307.8±30.1 °C
Index of Refraction: 1.608
Molar Refractivity: 127.8±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.90
ACD/LogD (pH 5.5): 6.40
ACD/BCF (pH 5.5): 43230.18
ACD/KOC (pH 5.5): 72423.34
ACD/LogD (pH 7.4): 6.40
ACD/BCF (pH 7.4): 43230.37
ACD/KOC (pH 7.4): 72423.66
Polar Surface Area: 25 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 41.1±7.0 dyne/cm
Molar Volume: 369.4±7.0 cm3

Click to predict properties on the Chemicalize site


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