ChemSpider 2D Image | N-[(4S,4aS,7R,8R,8aS)-4-[2-(Diethylamino)-2-oxoethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]-3,3-dimethylbutanamide | C26H43N3O4S

N-[(4S,4aS,7R,8R,8aS)-4-[2-(Diethylamino)-2-oxoethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]-3,3-dimethylbutanamide

  • Molecular FormulaC26H43N3O4S
  • Average mass493.702 Da
  • Monoisotopic mass493.297424 Da
  • ChemSpider ID62508920

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

N-[(4S,4aS,7R,8R,8aS)-4-[2-(Diethylamino)-2-oxoethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]-3,3-dimethylbutanamid [German] [ACD/IUPAC Name]
N-[(4S,4aS,7R,8R,8aS)-4-[2-(Diethylamino)-2-oxoethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]-3,3-dimethylbutanamide [ACD/IUPAC Name]
N-[(4S,4aS,7R,8R,8aS)-4-[2-(Diéthylamino)-2-oxoéthyl]-7-hydroxy-8-(hydroxyméthyl)-4a,8-diméthyl-4,4a,5,6,7,8,8a,9-octahydronaphto[2,3-d][1,3]thiazol-2-yl]-3,3-diméthylbutanamide [French] [ACD/IUPAC Name]
Naphtho[2,3-d]thiazole-4-acetamide, 2-[(3,3-dimethyl-1-oxobutyl)amino]-N,N-diethyl-4,4a,5,6,7,8,8a,9-octahydro-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-, (4S,4aS,7R,8R,8aS)- [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: 1.557
Molar Refractivity: 137.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 419.68
ACD/KOC (pH 5.5): 2621.17
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 419.27
ACD/KOC (pH 7.4): 2618.57
Polar Surface Area: 131 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 426.8±3.0 cm3

Click to predict properties on the Chemicalize site


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