ChemSpider 2D Image | N-{7-Hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl}-4-(2-methyl-2-propanyl)benzamide | C30H38N4O4S2

N-{7-Hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-oxo-2-(1,3-thiazol-2-ylamino)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 FormulaC30H38N4O4S2
  • Average mass582.777 Da
  • Monoisotopic mass582.233459 Da
  • ChemSpider ID4193477

More details:

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

N-{7-Hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-oxo-2-(1,3-thiazol-2-ylamino)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-{7-Hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-oxo-2-(1,3-thiazol-2-ylamino)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-{7-Hydroxy-8-(hydroxyméthyl)-4a,8-diméthyl-4-[2-oxo-2-(1,3-thiazol-2-ylamino)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]
Naphtho[2,3-d]thiazole-4-acetamide, 2-[[4-(1,1-dimethylethyl)benzoyl]amino]-4,4a,5,6,7,8,8a,9-octahydro-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-N-2-thiazolyl- [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: 1.641
Molar Refractivity: 161.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 5.21
ACD/BCF (pH 5.5): 5337.02
ACD/KOC (pH 5.5): 16115.54
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2392.32
ACD/KOC (pH 7.4): 7223.78
Polar Surface Area: 181 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 446.5±3.0 cm3

Click to predict properties on the Chemicalize site


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