ChemSpider 2D Image | N-{(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-oxo-2-(1-piperidinyl)ethyl]-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl}-4-(2-methyl-2-propanyl)benzamide | C32H45N3O4S

N-{(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-oxo-2-(1-piperidinyl)ethyl]-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl}-4-(2-methyl-2-propanyl)benzamide

  • Molecular FormulaC32H45N3O4S
  • Average mass567.782 Da
  • Monoisotopic mass567.313049 Da
  • ChemSpider ID10057329

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Benzamide, 4-(1,1-dimethylethyl)-N-[(4S,4aR,7R,8R,8aS)-4,4a,5,6,7,8,8a,9-octahydro-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-oxo-2-(1-piperidinyl)ethyl]naphtho[2,3-d]thiazol-2-yl]- [ACD/Index Name]
N-{(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-oxo-2-(1-piperidinyl)ethyl]-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl}-4-(2-methyl-2-propanyl)benzamid [German] [ACD/IUPAC Name]
N-{(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-oxo-2-(1-piperidinyl)ethyl]-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl}-4-(2-methyl-2-propanyl)benzamide [ACD/IUPAC Name]
N-{(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxyméthyl)-4a,8-diméthyl-4-[2-oxo-2-(1-pipéridinyl)éthyl]-4,4a,5,6,7,8,8a,9-octahydronaphto[2,3-d][1,3]thiazol-2-yl}-4-(2-méthyl-2-propanyl)benzamide [French] [ACD/IUPAC Name]

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

ZINC04222347 [DBID]

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: 1.596
Molar Refractivity: 159.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.65
ACD/LogD (pH 5.5): 5.26
ACD/BCF (pH 5.5): 5819.62
ACD/KOC (pH 5.5): 17154.23
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 2759.35
ACD/KOC (pH 7.4): 8133.60
Polar Surface Area: 131 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 470.0±3.0 cm3

Click to predict properties on the Chemicalize site


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