ChemSpider 2D Image | N-[(4S,4aR,7R,8R,8aS)-4-[2-(Benzylamino)-2-oxoethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]hexanamide | C29H41N3O4S

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

  • Molecular FormulaC29H41N3O4S
  • Average mass527.719 Da
  • Monoisotopic mass527.281799 Da
  • ChemSpider ID10059403

  • 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)-4-[2-(Benzylamino)-2-oxoethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]hexanamid [German] [ACD/IUPAC Name]
N-[(4S,4aR,7R,8R,8aS)-4-[2-(Benzylamino)-2-oxoethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]hexanamide [ACD/IUPAC Name]
N-[(4S,4aR,7R,8R,8aS)-4-[2-(Benzylamino)-2-oxoéthyl]-7-hydroxy-8-(hydroxyméthyl)-4a,8-diméthyl-4,4a,5,6,7,8,8a,9-octahydronaphto[2,3-d][1,3]thiazol-2-yl]hexanamide [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-[(1-oxohexyl)amino]-N-(phenylmethyl)-, (4S,4aR,7R,8R,8aS)- [ACD/Index Name]

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

ZINC04237026 [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: 1.588
Molar Refractivity: 147.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 4.84
ACD/BCF (pH 5.5): 2817.73
ACD/KOC (pH 5.5): 10247.10
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 2810.35
ACD/KOC (pH 7.4): 10220.28
Polar Surface Area: 140 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 439.5±3.0 cm3

Click to predict properties on the Chemicalize site


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