ChemSpider 2D Image | 4-({[2-(1-Cyclohexen-1-yl)ethyl][(4-hexylphenyl)sulfonyl]amino}methyl)benzoic acid | C28H37NO4S

4-({[2-(1-Cyclohexen-1-yl)ethyl][(4-hexylphenyl)sulfonyl]amino}methyl)benzoic acid

  • Molecular FormulaC28H37NO4S
  • Average mass483.663 Da
  • Monoisotopic mass483.244324 Da
  • ChemSpider ID59173214

More details:

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

4-({[2-(1-Cyclohexen-1-yl)ethyl][(4-hexylphenyl)sulfonyl]amino}methyl)benzoesäure [German] [ACD/IUPAC Name]
4-({[2-(1-Cyclohexen-1-yl)ethyl][(4-hexylphenyl)sulfonyl]amino}methyl)benzoic acid [ACD/IUPAC Name]
Acide 4-({[2-(1-cyclohexén-1-yl)éthyl][(4-hexylphényl)sulfonyl]amino}méthyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[2-(1-cyclohexen-1-yl)ethyl][(4-hexylphenyl)sulfonyl]amino]methyl]- [ACD/Index 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: 645.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 344.0±34.3 °C
Index of Refraction: 1.573
Molar Refractivity: 137.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 9.02
ACD/LogD (pH 5.5): 6.99
ACD/BCF (pH 5.5): 58397.23
ACD/KOC (pH 5.5): 37580.92
ACD/LogD (pH 7.4): 5.44
ACD/BCF (pH 7.4): 1645.15
ACD/KOC (pH 7.4): 1058.72
Polar Surface Area: 83 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 417.3±3.0 cm3

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