ChemSpider 2D Image | (3s,5s,7s)-N-(2-{2-[2-({[5-(Dimethylamino)-1-naphthyl]sulfonyl}amino)ethoxy]ethoxy}ethyl)-1-adamantanecarboxamide | C29H41N3O5S

(3s,5s,7s)-N-(2-{2-[2-({[5-(Dimethylamino)-1-naphthyl]sulfonyl}amino)ethoxy]ethoxy}ethyl)-1-adamantanecarboxamide

  • Molecular FormulaC29H41N3O5S
  • Average mass543.718 Da
  • Monoisotopic mass543.276672 Da
  • ChemSpider ID26326767

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3s,5s,7s)-N-(2-{2-[2-({[5-(Dimethylamino)-1-naphthyl]sulfonyl}amino)ethoxy]ethoxy}ethyl)-1-adamantancarboxamid [German] [ACD/IUPAC Name]
(3s,5s,7s)-N-(2-{2-[2-({[5-(Dimethylamino)-1-naphthyl]sulfonyl}amino)ethoxy]ethoxy}ethyl)-1-adamantanecarboxamide [ACD/IUPAC Name]
(3s,5s,7s)-N-(2-{2-[2-({[5-(Diméthylamino)-1-naphtyl]sulfonyl}amino)éthoxy]éthoxy}éthyl)-1-adamantanecarboxamide [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-carboxamide, N-[2-[2-[2-[[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]amino]ethoxy]ethoxy]ethyl]- [ACD/Index Name]
ETG

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: 1.602
Molar Refractivity: 149.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1961.56
ACD/KOC (pH 5.5): 7884.72
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1987.13
ACD/KOC (pH 7.4): 7987.49
Polar Surface Area: 105 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 436.6±3.0 cm3

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