ChemSpider 2D Image | 2-[(4S,4aR,7R,8R,8aS)-2-Anilino-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-4-yl]-N-(2-thienylmethyl)acetamide | C27H33N3O3S2

2-[(4S,4aR,7R,8R,8aS)-2-Anilino-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-4-yl]-N-(2-thienylmethyl)acetamide

  • Molecular FormulaC27H33N3O3S2
  • Average mass511.699 Da
  • Monoisotopic mass511.196320 Da
  • ChemSpider ID10041331

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-[(4S,4aR,7R,8R,8aS)-2-Anilino-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-4-yl]-N-(2-thienylmethyl)acetamid [German] [ACD/IUPAC Name]
2-[(4S,4aR,7R,8R,8aS)-2-Anilino-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-4-yl]-N-(2-thienylmethyl)acetamide [ACD/IUPAC Name]
2-[(4S,4aR,7R,8R,8aS)-2-Anilino-7-hydroxy-8-(hydroxyméthyl)-4a,8-diméthyl-4,4a,5,6,7,8,8a,9-octahydronaphto[2,3-d][1,3]thiazol-4-yl]-N-(2-thiénylméthyl)acétamide [French] [ACD/IUPAC Name]
Naphtho[2,3-d]thiazole-4-acetamide, 4,4a,5,6,7,8,8a,9-octahydro-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-(phenylamino)-N-(2-thienylmethyl)-, (4S,4aR,7R,8R,8aS)- [ACD/Index Name]

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

ZINC03841017 [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: 1.641
Molar Refractivity: 142.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 4.67
ACD/BCF (pH 5.5): 1988.30
ACD/KOC (pH 5.5): 7623.30
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2342.33
ACD/KOC (pH 7.4): 8980.68
Polar Surface Area: 151 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 395.9±3.0 cm3

Click to predict properties on the Chemicalize site


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