ChemSpider 2D Image | N-[(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-{2-[methyl(2-propyn-1-yl)amino]-2-oxoethyl}-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]-4-methoxybenzamide | C28H35N3O5S

N-[(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-{2-[methyl(2-propyn-1-yl)amino]-2-oxoethyl}-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]-4-methoxybenzamide

  • Molecular FormulaC28H35N3O5S
  • Average mass525.660 Da
  • Monoisotopic mass525.229736 Da
  • ChemSpider ID10041379

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

N-[(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-{2-[methyl(2-propin-1-yl)amino]-2-oxoethyl}-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]-4-methoxybenzamid [German] [ACD/IUPAC Name]
N-[(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-{2-[methyl(2-propyn-1-yl)amino]-2-oxoethyl}-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]-4-methoxybenzamide [ACD/IUPAC Name]
N-[(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxyméthyl)-4a,8-diméthyl-4-{2-[méthyl(2-propyn-1-yl)amino]-2-oxoéthyl}-4,4a,5,6,7,8,8a,9-octahydronaphto[2,3-d][1,3]thiazol-2-yl]-4-méthoxybenzamide [French] [ACD/IUPAC Name]
Naphtho[2,3-d]thiazole-4-acetamide, 4,4a,5,6,7,8,8a,9-octahydro-7-hydroxy-8-(hydroxymethyl)-2-[(4-methoxybenzoyl)amino]-N,4a,8-trimethyl-N-2-propyn-1-yl-, (4S,4aR,7R,8R,8aS)- [ACD/Index Name]

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

ZINC03841080 [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: 1.611
Molar Refractivity: 143.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 115.97
ACD/KOC (pH 5.5): 1040.78
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 59.47
ACD/KOC (pH 7.4): 533.70
Polar Surface Area: 140 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 414.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement