ChemSpider 2D Image | N-(2-Acetamidoethyl)-2-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-{[(methylsulfanyl)acetyl]amino}-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-4-yl]acetamide | C23H36N4O5S2

N-(2-Acetamidoethyl)-2-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-{[(methylsulfanyl)acetyl]amino}-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-4-yl]acetamide

  • Molecular FormulaC23H36N4O5S2
  • Average mass512.686 Da
  • Monoisotopic mass512.212708 Da
  • ChemSpider ID5495978

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

N-(2-Acetamidoethyl)-2-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-{[(methylsulfanyl)acetyl]amino}-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-4-yl]acetamid [German] [ACD/IUPAC Name]
N-(2-Acetamidoethyl)-2-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-{[(methylsulfanyl)acetyl]amino}-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-4-yl]acetamide [ACD/IUPAC Name]
N-(2-Acétamidoéthyl)-2-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxyméthyl)-4a,8-diméthyl-2-{[2-(méthylsulfanyl)acétyl]amino}-4,4a,5,6,7,8,8a,9-octahydronaphto[2,3-d][1,3]thiazol-4-yl]acétamide [French] [ACD/IUPAC Name]
Naphtho[2,3-d]thiazole-4-acetamide, N-[2-(acetylamino)ethyl]-4,4a,5,6,7,8,8a,9-octahydro-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-[[2-(methylthio)acetyl]amino]-, (4S,4aR,7R,8R,8aS)- [ACD/Index Name]

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

ZINC04260516 [DBID]

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: 1.593
Molar Refractivity: 135.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.06
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 3.74
ACD/KOC (pH 5.5): 89.32
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 3.04
ACD/KOC (pH 7.4): 72.48
Polar Surface Area: 194 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 398.7±3.0 cm3

Click to predict properties on the Chemicalize site


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