ChemSpider 2D Image | 5-(Diethylamino)-2-{[isopropyl(2-thienylcarbonyl)amino]methyl}phenyl ethanesulfonate | C21H30N2O4S2

5-(Diethylamino)-2-{[isopropyl(2-thienylcarbonyl)amino]methyl}phenyl ethanesulfonate

  • Molecular FormulaC21H30N2O4S2
  • Average mass438.604 Da
  • Monoisotopic mass438.164703 Da
  • ChemSpider ID21544873

More details:

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

5-(Diethylamino)-2-{[isopropyl(2-thienylcarbonyl)amino]methyl}phenyl ethanesulfonate [ACD/IUPAC Name]
5-(Diethylamino)-2-{[isopropyl(2-thienylcarbonyl)amino]methyl}phenyl-ethansulfonat [German] [ACD/IUPAC Name]
Éthanesulfonate de 5-(diéthylamino)-2-{[isopropyl(2-thiénylcarbonyl)amino]méthyl}phényle [French] [ACD/IUPAC Name]
Ethanesulfonic acid, 5-(diethylamino)-2-[[(1-methylethyl)(2-thienylcarbonyl)amino]methyl]phenyl ester [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: 616.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 326.8±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 118.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 463.77
ACD/KOC (pH 5.5): 2700.64
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 538.40
ACD/KOC (pH 7.4): 3135.27
Polar Surface Area: 104 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 360.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement