ChemSpider 2D Image | Ethyl 3-[([2-(1-cyclohexen-1-yl)ethyl]{[4-(2-methyl-2-propanyl)phenyl]sulfonyl}amino)methyl]benzoate | C28H37NO4S

Ethyl 3-[([2-(1-cyclohexen-1-yl)ethyl]{[4-(2-methyl-2-propanyl)phenyl]sulfonyl}amino)methyl]benzoate

  • Molecular FormulaC28H37NO4S
  • Average mass483.663 Da
  • Monoisotopic mass483.244324 Da
  • ChemSpider ID59141629

More details:

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

3-[([2-(1-Cyclohexén-1-yl)éthyl]{[4-(2-méthyl-2-propanyl)phényl]sulfonyl}amino)méthyl]benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[[2-(1-cyclohexen-1-yl)ethyl][[4-(1,1-dimethylethyl)phenyl]sulfonyl]amino]methyl]-, ethyl ester [ACD/Index Name]
Ethyl 3-[([2-(1-cyclohexen-1-yl)ethyl]{[4-(2-methyl-2-propanyl)phenyl]sulfonyl}amino)methyl]benzoate [ACD/IUPAC Name]
Ethyl-3-[([2-(1-cyclohexen-1-yl)ethyl]{[4-(2-methyl-2-propanyl)phenyl]sulfonyl}amino)methyl]benzoat [German] [ACD/IUPAC 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: 607.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.3±3.0 kJ/mol
Flash Point: 321.4±34.3 °C
Index of Refraction: 1.558
Molar Refractivity: 137.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 8.43
ACD/LogD (pH 5.5): 7.58
ACD/BCF (pH 5.5): 340527.50
ACD/KOC (pH 5.5): 317312.91
ACD/LogD (pH 7.4): 7.58
ACD/BCF (pH 7.4): 340527.50
ACD/KOC (pH 7.4): 317312.91
Polar Surface Area: 72 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 427.0±3.0 cm3

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