ChemSpider 2D Image | (2S)-2-[(3-Cyclohexylpropanoyl)(propyl)amino]-N-{[(4-methylphenyl)sulfonyl]methyl}heptanamide | C27H44N2O4S

(2S)-2-[(3-Cyclohexylpropanoyl)(propyl)amino]-N-{[(4-methylphenyl)sulfonyl]methyl}heptanamide

  • Molecular FormulaC27H44N2O4S
  • Average mass492.714 Da
  • Monoisotopic mass492.302185 Da
  • ChemSpider ID62600268

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-[(3-Cyclohexylpropanoyl)(propyl)amino]-N-{[(4-methylphenyl)sulfonyl]methyl}heptanamid [German] [ACD/IUPAC Name]
(2S)-2-[(3-Cyclohexylpropanoyl)(propyl)amino]-N-{[(4-methylphenyl)sulfonyl]methyl}heptanamide [ACD/IUPAC Name]
(2S)-2-[(3-Cyclohexylpropanoyl)(propyl)amino]-N-{[(4-méthylphényl)sulfonyl]méthyl}heptanamide [French] [ACD/IUPAC Name]
Cyclohexanepropanamide, N-[(1S)-1-[[[[(4-methylphenyl)sulfonyl]methyl]amino]carbonyl]hexyl]-N-propyl- [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: 688.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 370.2±31.5 °C
Index of Refraction: 1.520
Molar Refractivity: 138.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 6.38
ACD/LogD (pH 5.5): 5.74
ACD/BCF (pH 5.5): 13446.11
ACD/KOC (pH 5.5): 31393.35
ACD/LogD (pH 7.4): 5.74
ACD/BCF (pH 7.4): 13445.41
ACD/KOC (pH 7.4): 31391.69
Polar Surface Area: 92 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 455.2±3.0 cm3

Click to predict properties on the Chemicalize site


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