ChemSpider 2D Image | (2S)-2-Ethyl-N-hexyl-N-[(2R,3E)-1-({[(4-methylphenyl)sulfonyl]methyl}amino)-1-oxo-3-penten-2-yl]hexanamide | C27H44N2O4S

(2S)-2-Ethyl-N-hexyl-N-[(2R,3E)-1-({[(4-methylphenyl)sulfonyl]methyl}amino)-1-oxo-3-penten-2-yl]hexanamide

  • Molecular FormulaC27H44N2O4S
  • Average mass492.714 Da
  • Monoisotopic mass492.302185 Da
  • ChemSpider ID62484796

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-Ethyl-N-hexyl-N-[(2R,3E)-1-({[(4-methylphenyl)sulfonyl]methyl}amino)-1-oxo-3-penten-2-yl]hexanamid [German] [ACD/IUPAC Name]
(2S)-2-Ethyl-N-hexyl-N-[(2R,3E)-1-({[(4-methylphenyl)sulfonyl]methyl}amino)-1-oxo-3-penten-2-yl]hexanamide [ACD/IUPAC Name]
(2S)-2-Éthyl-N-hexyl-N-[(2R,3E)-1-({[(4-méthylphényl)sulfonyl]méthyl}amino)-1-oxo-3-pentén-2-yl]hexanamide [French] [ACD/IUPAC Name]
Hexanamide, 2-ethyl-N-hexyl-N-[(1R,2E)-1-[[[[(4-methylphenyl)sulfonyl]methyl]amino]carbonyl]-2-buten-1-yl]-, (2S)- [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: 672.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 360.7±31.5 °C
Index of Refraction: 1.515
Molar Refractivity: 140.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 6.91
ACD/LogD (pH 5.5): 5.93
ACD/BCF (pH 5.5): 18976.20
ACD/KOC (pH 5.5): 40172.47
ACD/LogD (pH 7.4): 5.93
ACD/BCF (pH 7.4): 18973.91
ACD/KOC (pH 7.4): 40167.62
Polar Surface Area: 92 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 465.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement