ChemSpider 2D Image | 4-(Hexyloxy)-N-(4-methyl-1-oxo-1-{4-[(phenylsulfonyl)methyl]-1-piperidinyl}-2-pentanyl)benzamide | C31H44N2O5S

4-(Hexyloxy)-N-(4-methyl-1-oxo-1-{4-[(phenylsulfonyl)methyl]-1-piperidinyl}-2-pentanyl)benzamide

  • Molecular FormulaC31H44N2O5S
  • Average mass556.756 Da
  • Monoisotopic mass556.297119 Da
  • ChemSpider ID122234285

More details:

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

4-(Hexyloxy)-N-(4-methyl-1-oxo-1-{4-[(phenylsulfonyl)methyl]-1-piperidinyl}-2-pentanyl)benzamid [German] [ACD/IUPAC Name]
4-(Hexyloxy)-N-(4-methyl-1-oxo-1-{4-[(phenylsulfonyl)methyl]-1-piperidinyl}-2-pentanyl)benzamide [ACD/IUPAC Name]
4-(Hexyloxy)-N-(4-méthyl-1-oxo-1-{4-[(phénylsulfonyl)méthyl]-1-pipéridinyl}-2-pentanyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-(hexyloxy)-N-[3-methyl-1-[[4-[(phenylsulfonyl)methyl]-1-piperidinyl]carbonyl]butyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 753.0±58.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.7±3.0 kJ/mol
Flash Point: 409.2±32.3 °C
Index of Refraction: 1.543
Molar Refractivity: 155.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.23
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 11459.38
ACD/KOC (pH 5.5): 27998.61
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 11459.38
ACD/KOC (pH 7.4): 27998.61
Polar Surface Area: 101 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 494.1±3.0 cm3

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