ChemSpider 2D Image | 3-{(3S,3aR,6S,7aS)-6-Hydroxy-1,1,6-trimethyl-3-[(propylsulfonyl)amino]octahydro-3aH-inden-3a-yl}-N-[2-(1H-indol-3-yl)ethyl]propanamide | C28H43N3O4S

3-{(3S,3aR,6S,7aS)-6-Hydroxy-1,1,6-trimethyl-3-[(propylsulfonyl)amino]octahydro-3aH-inden-3a-yl}-N-[2-(1H-indol-3-yl)ethyl]propanamide

  • Molecular FormulaC28H43N3O4S
  • Average mass517.724 Da
  • Monoisotopic mass517.297424 Da
  • ChemSpider ID21383443

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3-{(3S,3aR,6S,7aS)-6-Hydroxy-1,1,6-trimethyl-3-[(propylsulfonyl)amino]octahydro-3aH-inden-3a-yl}-N-[2-(1H-indol-3-yl)ethyl]propanamid [German] [ACD/IUPAC Name]
3-{(3S,3aR,6S,7aS)-6-Hydroxy-1,1,6-trimethyl-3-[(propylsulfonyl)amino]octahydro-3aH-inden-3a-yl}-N-[2-(1H-indol-3-yl)ethyl]propanamide [ACD/IUPAC Name]
3-{(3S,3aR,6S,7aS)-6-Hydroxy-1,1,6-triméthyl-3-[(propylsulfonyl)amino]octahydro-3aH-indén-3a-yl}-N-[2-(1H-indol-3-yl)éthyl]propanamide [French] [ACD/IUPAC Name]
3aH-Indene-3a-propanamide, octahydro-6-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-1,1,6-trimethyl-3-[(propylsulfonyl)amino]-, (3S,3aR,6S,7aS)- [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.600
Molar Refractivity: 144.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 532.83
ACD/KOC (pH 5.5): 3113.81
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 532.59
ACD/KOC (pH 7.4): 3112.43
Polar Surface Area: 120 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 56.1±5.0 dyne/cm
Molar Volume: 422.2±5.0 cm3

Click to predict properties on the Chemicalize site


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