ChemSpider 2D Image | [3-(1,3-Benzodioxol-5-yloxy)-8-azabicyclo[3.2.1]oct-8-yl](4-{[(4-methoxybenzyl)sulfanyl]methyl}phenyl)methanone | C30H31NO5S

[3-(1,3-Benzodioxol-5-yloxy)-8-azabicyclo[3.2.1]oct-8-yl](4-{[(4-methoxybenzyl)sulfanyl]methyl}phenyl)methanone

  • Molecular FormulaC30H31NO5S
  • Average mass517.636 Da
  • Monoisotopic mass517.192322 Da
  • ChemSpider ID22775740

More details:

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

[3-(1,3-Benzodioxol-5-yloxy)-8-azabicyclo[3.2.1]oct-8-yl](4-{[(4-methoxybenzyl)sulfanyl]methyl}phenyl)methanon [German] [ACD/IUPAC Name]
[3-(1,3-Benzodioxol-5-yloxy)-8-azabicyclo[3.2.1]oct-8-yl](4-{[(4-methoxybenzyl)sulfanyl]methyl}phenyl)methanone [ACD/IUPAC Name]
[3-(1,3-Benzodioxol-5-yloxy)-8-azabicyclo[3.2.1]oct-8-yl](4-{[(4-méthoxybenzyl)sulfanyl]méthyl}phényl)méthanone [French] [ACD/IUPAC Name]
Methanone, [3-(1,3-benzodioxol-5-yloxy)-8-azabicyclo[3.2.1]oct-8-yl][4-[[[(4-methoxyphenyl)methyl]thio]methyl]phenyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 677.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 363.7±31.5 °C
Index of Refraction: 1.637
Molar Refractivity: 144.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3160.06
ACD/KOC (pH 5.5): 11134.65
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3160.06
ACD/KOC (pH 7.4): 11134.65
Polar Surface Area: 83 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 403.2±3.0 cm3

Click to predict properties on the Chemicalize site


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