ChemSpider 2D Image | (2Z)-N-[(2R)-1-({[(4-Methylphenyl)sulfonyl]methyl}amino)-1-oxo-2-heptanyl]-N-(2-methyl-2-propanyl)-2-octenamide | C27H44N2O4S

(2Z)-N-[(2R)-1-({[(4-Methylphenyl)sulfonyl]methyl}amino)-1-oxo-2-heptanyl]-N-(2-methyl-2-propanyl)-2-octenamide

  • Molecular FormulaC27H44N2O4S
  • Average mass492.714 Da
  • Monoisotopic mass492.302185 Da
  • ChemSpider ID62600021

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2Z)-N-[(2R)-1-({[(4-Methylphenyl)sulfonyl]methyl}amino)-1-oxo-2-heptanyl]-N-(2-methyl-2-propanyl)-2-octenamid [German] [ACD/IUPAC Name]
(2Z)-N-[(2R)-1-({[(4-Methylphenyl)sulfonyl]methyl}amino)-1-oxo-2-heptanyl]-N-(2-methyl-2-propanyl)-2-octenamide [ACD/IUPAC Name]
(2Z)-N-[(2R)-1-({[(4-Méthylphényl)sulfonyl]méthyl}amino)-1-oxo-2-heptanyl]-N-(2-méthyl-2-propanyl)-2-octénamide [French] [ACD/IUPAC Name]
2-Octenamide, N-(1,1-dimethylethyl)-N-[(1R)-1-[[[[(4-methylphenyl)sulfonyl]methyl]amino]carbonyl]hexyl]-, (2Z)- [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: 688.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 370.4±31.5 °C
Index of Refraction: 1.515
Molar Refractivity: 140.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 6.23
ACD/LogD (pH 5.5): 5.40
ACD/BCF (pH 5.5): 7513.54
ACD/KOC (pH 5.5): 20697.62
ACD/LogD (pH 7.4): 5.40
ACD/BCF (pH 7.4): 7513.13
ACD/KOC (pH 7.4): 20696.50
Polar Surface Area: 92 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 465.5±3.0 cm3

Click to predict properties on the Chemicalize site


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