ChemSpider 2D Image | (2E,3S)-2-{[1-(Phenylsulfonyl)-1H-indol-3-yl]methylene}quinuclidin-3-ol | C22H22N2O3S

(2E,3S)-2-{[1-(Phenylsulfonyl)-1H-indol-3-yl]methylene}quinuclidin-3-ol

  • Molecular FormulaC22H22N2O3S
  • Average mass394.487 Da
  • Monoisotopic mass394.135101 Da
  • ChemSpider ID30652401

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2E,3S)-2-{[1-(Phenylsulfonyl)-1H-indol-3-yl]methylen}chinuclidin-3-ol [German] [ACD/IUPAC Name]
(2E,3S)-2-{[1-(Phenylsulfonyl)-1H-indol-3-yl]methylene}quinuclidin-3-ol [ACD/IUPAC Name]
(2E,3S)-2-{[1-(Phénylsulfonyl)-1H-indol-3-yl]méthylène}quinuclidin-3-ol [French] [ACD/IUPAC Name]
1-Azabicyclo[2.2.2]octan-3-ol, 2-[[1-(phenylsulfonyl)-1H-indol-3-yl]methylene]-, (2E,3S)- [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: 654.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 349.3±34.3 °C
Index of Refraction: 1.702
Molar Refractivity: 109.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 27.86
ACD/KOC (pH 5.5): 220.64
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 170.30
ACD/KOC (pH 7.4): 1348.60
Polar Surface Area: 71 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


Advertisement