ChemSpider 2D Image | 2-[(3s,5s,7s)-Adamantan-1-yl]-N-[8-({[5-(dimethylamino)-1-naphthyl]sulfonyl}amino)octyl]acetamide | C32H47N3O3S

2-[(3s,5s,7s)-Adamantan-1-yl]-N-[8-({[5-(dimethylamino)-1-naphthyl]sulfonyl}amino)octyl]acetamide

  • Molecular FormulaC32H47N3O3S
  • Average mass553.799 Da
  • Monoisotopic mass553.333801 Da
  • ChemSpider ID26328889
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

2-[(3s,5s,7s)-Adamantan-1-yl]-N-[8-({[5-(dimethylamino)-1-naphthyl]sulfonyl}amino)octyl]acetamid [German] [ACD/IUPAC Name]
2-[(3s,5s,7s)-Adamantan-1-yl]-N-[8-({[5-(dimethylamino)-1-naphthyl]sulfonyl}amino)octyl]acetamide [ACD/IUPAC Name]
2-[(3s,5s,7s)-Adamantan-1-yl]-N-[8-({[5-(diméthylamino)-1-naphtyl]sulfonyl}amino)octyl]acétamide [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-acetamide, N-[8-[[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]amino]octyl]- [ACD/Index Name]
SBF

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.586
Molar Refractivity: 160.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 7.45
ACD/LogD (pH 5.5): 6.62
ACD/BCF (pH 5.5): 62707.21
ACD/KOC (pH 5.5): 94097.27
ACD/LogD (pH 7.4): 6.62
ACD/BCF (pH 7.4): 63677.86
ACD/KOC (pH 7.4): 95553.80
Polar Surface Area: 87 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 476.9±3.0 cm3

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