ChemSpider 2D Image | (2Z)-2-{[1-(Phenylsulfonyl)-1H-indol-3-yl]methylene}quinuclidin-3-one | C22H20N2O3S

(2Z)-2-{[1-(Phenylsulfonyl)-1H-indol-3-yl]methylene}quinuclidin-3-one

  • Molecular FormulaC22H20N2O3S
  • Average mass392.471 Da
  • Monoisotopic mass392.119476 Da
  • ChemSpider ID21181271

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-{[1-(Phenylsulfonyl)-1H-indol-3-yl]methylen}chinuclidin-3-on [German] [ACD/IUPAC Name]
(2Z)-2-{[1-(Phenylsulfonyl)-1H-indol-3-yl]methylene}quinuclidin-3-one [ACD/IUPAC Name]
(2Z)-2-{[1-(Phénylsulfonyl)-1H-indol-3-yl]méthylène}quinuclidin-3-one [French] [ACD/IUPAC Name]
1-Azabicyclo[2.2.2]octan-3-one, 2-[[1-(phenylsulfonyl)-1H-indol-3-yl]methylene]-, (2Z)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 652.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 348.4±34.3 °C
Index of Refraction: 1.702
Molar Refractivity: 109.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 223.64
ACD/KOC (pH 5.5): 1670.16
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 224.83
ACD/KOC (pH 7.4): 1679.00
Polar Surface Area: 68 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 59.0±7.0 dyne/cm
Molar Volume: 283.2±7.0 cm3

Click to predict properties on the Chemicalize site


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