ChemSpider 2D Image | N-[(4S,4aS,7R,8R,8aS)-4-[2-(Cyclopentylamino)-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]cyclohexanecarboxamide | C28H43N3O4S

N-[(4S,4aS,7R,8R,8aS)-4-[2-(Cyclopentylamino)-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]cyclohexanecarboxamide

  • Molecular FormulaC28H43N3O4S
  • Average mass517.724 Da
  • Monoisotopic mass517.297424 Da
  • ChemSpider ID62494265

  • 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-(Cyclopentylamino)-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]cyclohexancarboxamid [German] [ACD/IUPAC Name]
N-[(4S,4aS,7R,8R,8aS)-4-[2-(Cyclopentylamino)-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]cyclohexanecarboxamide [ACD/IUPAC Name]
N-[(4S,4aS,7R,8R,8aS)-4-[2-(Cyclopentylamino)-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]cyclohexanecarboxamide [French] [ACD/IUPAC Name]
Naphtho[2,3-d]thiazole-4-acetamide, 2-[(cyclohexylcarbonyl)amino]-N-cyclopentyl-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: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.600
Molar Refractivity: 140.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 524.49
ACD/KOC (pH 5.5): 3075.78
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 523.52
ACD/KOC (pH 7.4): 3070.05
Polar Surface Area: 140 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 60.6±5.0 dyne/cm
Molar Volume: 411.4±5.0 cm3

Click to predict properties on the Chemicalize site


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