ChemSpider 2D Image | N-Cyclopentyl-1-[(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]-N-(3-isopropoxy-4-methoxybenzyl)methanesulfonamide | C26H39NO5S

N-Cyclopentyl-1-[(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]-N-(3-isopropoxy-4-methoxybenzyl)methanesulfonamide

  • Molecular FormulaC26H39NO5S
  • Average mass477.657 Da
  • Monoisotopic mass477.254883 Da
  • ChemSpider ID23039054

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Bicyclo[2.2.1]heptane-1-methanesulfonamide, N-cyclopentyl-N-[[4-methoxy-3-(1-methylethoxy)phenyl]methyl]-7,7-dimethyl-2-oxo-, (1S,4R)- [ACD/Index Name]
N-Cyclopentyl-1-[(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]-N-(3-isopropoxy-4-methoxybenzyl)methanesulfonamide [ACD/IUPAC Name]
N-Cyclopentyl-1-[(1S,4R)-7,7-diméthyl-2-oxobicyclo[2.2.1]hept-1-yl]-N-(3-isopropoxy-4-méthoxybenzyl)méthanesulfonamide [French] [ACD/IUPAC Name]
N-Cyclopentyl-1-[(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]-N-(3-isopropoxy-4-methoxybenzyl)methansulfonamid [German] [ACD/IUPAC 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: 595.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 313.7±32.9 °C
Index of Refraction: 1.567
Molar Refractivity: 129.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1770.85
ACD/KOC (pH 5.5): 7356.07
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1770.85
ACD/KOC (pH 7.4): 7356.07
Polar Surface Area: 81 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 396.2±5.0 cm3

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