ChemSpider 2D Image | 5-(Diethylamino)-2-{[(2-fluorobenzoyl)(tetrahydro-2-furanylmethyl)amino]methyl}phenyl ethanesulfonate | C25H33FN2O5S

5-(Diethylamino)-2-{[(2-fluorobenzoyl)(tetrahydro-2-furanylmethyl)amino]methyl}phenyl ethanesulfonate

  • Molecular FormulaC25H33FN2O5S
  • Average mass492.603 Da
  • Monoisotopic mass492.209412 Da
  • ChemSpider ID29243404

More details:

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

5-(Diethylamino)-2-{[(2-fluorbenzoyl)(tetrahydro-2-furanylmethyl)amino]methyl}phenyl-ethansulfonat [German] [ACD/IUPAC Name]
5-(Diethylamino)-2-{[(2-fluorobenzoyl)(tetrahydro-2-furanylmethyl)amino]methyl}phenyl ethanesulfonate [ACD/IUPAC Name]
Éthanesulfonate de 5-(diéthylamino)-2-{[(2-fluorobenzoyl)(tétrahydro-2-furanylméthyl)amino]méthyl}phényle [French] [ACD/IUPAC Name]
Ethanesulfonic acid, 5-(diethylamino)-2-[[(2-fluorobenzoyl)[(tetrahydro-2-furanyl)methyl]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: 670.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 359.3±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 129.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 167.43
ACD/KOC (pH 5.5): 1305.33
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 192.86
ACD/KOC (pH 7.4): 1503.66
Polar Surface Area: 85 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 398.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement