ChemSpider 2D Image | N-[(4S,4aR,7R,8R,8aS)-4-(2-Anilino-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]hexanamide | C28H39N3O4S

N-[(4S,4aR,7R,8R,8aS)-4-(2-Anilino-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]hexanamide

  • Molecular FormulaC28H39N3O4S
  • Average mass513.692 Da
  • Monoisotopic mass513.266113 Da
  • ChemSpider ID21388932

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

N-[(4S,4aR,7R,8R,8aS)-4-(2-Anilino-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]hexanamid [German] [ACD/IUPAC Name]
N-[(4S,4aR,7R,8R,8aS)-4-(2-Anilino-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]hexanamide [ACD/IUPAC Name]
N-[(4S,4aR,7R,8R,8aS)-4-(2-Anilino-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]hexanamide [French] [ACD/IUPAC Name]
Naphtho[2,3-d]thiazole-4-acetamide, 4,4a,5,6,7,8,8a,9-octahydro-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-[(1-oxohexyl)amino]-N-phenyl-, (4S,4aR,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: 1.608
Molar Refractivity: 144.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 3776.07
ACD/KOC (pH 5.5): 12630.19
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 3772.71
ACD/KOC (pH 7.4): 12618.96
Polar Surface Area: 140 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 417.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement