ChemSpider 2D Image | 2-{8-[4-(2-Methyl-2-propanyl)phenyl]-2,5,7-trioxo-4a,5,6,7,7a,8-hexahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazol-3(2H)-yl}-N-(4-sulfamoylphenyl)acetamide | C26H26N4O6S3

2-{8-[4-(2-Methyl-2-propanyl)phenyl]-2,5,7-trioxo-4a,5,6,7,7a,8-hexahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazol-3(2H)-yl}-N-(4-sulfamoylphenyl)acetamide

  • Molecular FormulaC26H26N4O6S3
  • Average mass586.703 Da
  • Monoisotopic mass586.101440 Da
  • ChemSpider ID23382281

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

2-[(4aS,7aS,8R)-8-(4-tert-Butylphenyl)-2,5,7-trioxo-4a,5,6,7,7a,8-hexahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazol-3(2H)-yl]-N-(4-sulfamoylphenyl)acetamide
2-{8-[4-(2-Methyl-2-propanyl)phenyl]-2,5,7-trioxo-4a,5,6,7,7a,8-hexahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazol-3(2H)-yl}-N-(4-sulfamoylphenyl)acetamid [German] [ACD/IUPAC Name]
2-{8-[4-(2-Methyl-2-propanyl)phenyl]-2,5,7-trioxo-4a,5,6,7,7a,8-hexahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazol-3(2H)-yl}-N-(4-sulfamoylphenyl)acetamide [ACD/IUPAC Name]
2-{8-[4-(2-Méthyl-2-propanyl)phényl]-2,5,7-trioxo-4a,5,6,7,7a,8-hexahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazol-3(2H)-yl}-N-(4-sulfamoylphényl)acétamide [French] [ACD/IUPAC Name]
Pyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-3(2H)-acetamide, N-[4-(aminosulfonyl)phenyl]-8-[4-(1,1-dimethylethyl)phenyl]-4a,5,6,7,7a,8-hexahydro-2,5,7-trioxo- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.731
Molar Refractivity: 149.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 5.61
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 439.31
ACD/KOC (pH 5.5): 2712.02
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 437.61
ACD/KOC (pH 7.4): 2701.54
Polar Surface Area: 215 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 84.0±5.0 dyne/cm
Molar Volume: 374.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement