ChemSpider 2D Image | 5-[(3R)-1,2-Dithiolan-3-yl]-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]pentanamide | C18H32N2OS2

5-[(3R)-1,2-Dithiolan-3-yl]-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]pentanamide

  • Molecular FormulaC18H32N2OS2
  • Average mass356.590 Da
  • Monoisotopic mass356.195618 Da
  • ChemSpider ID77735381

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1,2-Dithiolane-3-pentanamide, N-[[(1S,9aR)-octahydro-2H-quinolizin-1-yl]methyl]-, (3R)- [ACD/Index Name]
5-[(3R)-1,2-Dithiolan-3-yl]-N-[(1S,9aR)-octahydro-2H-chinolizin-1-ylmethyl]pentanamid [German] [ACD/IUPAC Name]
5-[(3R)-1,2-Dithiolan-3-yl]-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]pentanamide [ACD/IUPAC Name]
5-[(3R)-1,2-Dithiolan-3-yl]-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylméthyl]pentanamide [French] [ACD/IUPAC 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: 538.0±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 279.2±22.6 °C
Index of Refraction: 1.580
Molar Refractivity: 102.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.69
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 1.56
ACD/KOC (pH 7.4): 8.91
Polar Surface Area: 83 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 309.2±5.0 cm3

Click to predict properties on the Chemicalize site


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