ChemSpider 2D Image | 2-(Benzylsulfanyl)-1-[3-(phenylsulfonyl)-8-azabicyclo[3.2.1]oct-8-yl]ethanone | C22H25NO3S2

2-(Benzylsulfanyl)-1-[3-(phenylsulfonyl)-8-azabicyclo[3.2.1]oct-8-yl]ethanone

  • Molecular FormulaC22H25NO3S2
  • Average mass415.569 Da
  • Monoisotopic mass415.127594 Da
  • ChemSpider ID30763527

More details:

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

2-(Benzylsulfanyl)-1-[3-(phenylsulfonyl)-8-azabicyclo[3.2.1]oct-8-yl]ethanon [German] [ACD/IUPAC Name]
2-(Benzylsulfanyl)-1-[3-(phenylsulfonyl)-8-azabicyclo[3.2.1]oct-8-yl]ethanone [ACD/IUPAC Name]
2-(Benzylsulfanyl)-1-[3-(phénylsulfonyl)-8-azabicyclo[3.2.1]oct-8-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[(phenylmethyl)thio]-1-[3-(phenylsulfonyl)-8-azabicyclo[3.2.1]oct-8-yl]- [ACD/Index Name]
1-[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-(benzylsulfanyl)ethan-1-one
1448122-10-8 [RN]
2-(benzylthio)-1-((1R,5S)-3-(phenylsulfonyl)-8-azabicyclo[3.2.1]octan-8-yl)ethanone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 633.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 336.8±31.5 °C
Index of Refraction: 1.625
Molar Refractivity: 114.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 366.97
ACD/KOC (pH 5.5): 2384.35
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 366.97
ACD/KOC (pH 7.4): 2384.35
Polar Surface Area: 88 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 323.7±3.0 cm3

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