ChemSpider 2D Image | N-[7-Hydroxy-8-(hydroxymethyl)-4-{2-[(1-hydroxy-4-methyl-2-pentanyl)amino]-2-oxoethyl}-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]cyclobutanecarboxamide | C27H43N3O5S

N-[7-Hydroxy-8-(hydroxymethyl)-4-{2-[(1-hydroxy-4-methyl-2-pentanyl)amino]-2-oxoethyl}-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]cyclobutanecarboxamide

  • Molecular FormulaC27H43N3O5S
  • Average mass521.712 Da
  • Monoisotopic mass521.292358 Da
  • ChemSpider ID3093436

More details:

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

N-[7-Hydroxy-8-(hydroxymethyl)-4-{2-[(1-hydroxy-4-methyl-2-pentanyl)amino]-2-oxoethyl}-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]cyclobutancarboxamid [German] [ACD/IUPAC Name]
N-[7-Hydroxy-8-(hydroxymethyl)-4-{2-[(1-hydroxy-4-methyl-2-pentanyl)amino]-2-oxoethyl}-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]cyclobutanecarboxamide [ACD/IUPAC Name]
N-[7-Hydroxy-8-(hydroxyméthyl)-4-{2-[(1-hydroxy-4-méthyl-2-pentanyl)amino]-2-oxoéthyl}-4a,8-diméthyl-4,4a,5,6,7,8,8a,9-octahydronaphto[2,3-d][1,3]thiazol-2-yl]cyclobutanecarboxamide [French] [ACD/IUPAC Name]
Naphtho[2,3-d]thiazole-4-acetamide, 2-[(cyclobutylcarbonyl)amino]-4,4a,5,6,7,8,8a,9-octahydro-7-hydroxy-8-(hydroxymethyl)-N-[1-(hydroxymethyl)-3-methylbutyl]-4a,8-dimethyl- [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: 1.586
Molar Refractivity: 141.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 116.56
ACD/KOC (pH 5.5): 1048.14
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 116.33
ACD/KOC (pH 7.4): 1046.08
Polar Surface Area: 160 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 420.6±3.0 cm3

Click to predict properties on the Chemicalize site


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