ChemSpider 2D Image | 2-[(4S,4aR,7R,8R,8aS)-2-(Benzylamino)-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-(4-morpholinyl)ethyl]acetamide | C29H42N4O4S

2-[(4S,4aR,7R,8R,8aS)-2-(Benzylamino)-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-(4-morpholinyl)ethyl]acetamide

  • Molecular FormulaC29H42N4O4S
  • Average mass542.733 Da
  • Monoisotopic mass542.292664 Da
  • ChemSpider ID10057471

  • 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-(Benzylamino)-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-(4-morpholinyl)ethyl]acetamid [German] [ACD/IUPAC Name]
2-[(4S,4aR,7R,8R,8aS)-2-(Benzylamino)-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-(4-morpholinyl)ethyl]acetamide [ACD/IUPAC Name]
2-[(4S,4aR,7R,8R,8aS)-2-(Benzylamino)-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-(4-morpholinyl)éthyl]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-N-[2-(4-morpholinyl)ethyl]-2-[(phenylmethyl)amino]-, (4S,4aR,7R,8R,8aS)- [ACD/Index Name]

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: 1.601
Molar Refractivity: 151.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 8.65
ACD/KOC (pH 5.5): 78.17
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 101.65
ACD/KOC (pH 7.4): 919.19
Polar Surface Area: 135 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 440.9±3.0 cm3

Click to predict properties on the Chemicalize site


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