ChemSpider 2D Image | 2-Oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl 2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}benzoate | C22H21F3N2O4S

2-Oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl 2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}benzoate

  • Molecular FormulaC22H21F3N2O4S
  • Average mass466.473 Da
  • Monoisotopic mass466.117401 Da
  • ChemSpider ID21985012

More details:

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

2-{[2-Oxo-2-(1-pyrrolidinyl)éthyl]sulfanyl}benzoate de 2-oxo-2-{[2-(trifluorométhyl)phényl]amino}éthyle [French] [ACD/IUPAC Name]
2-Oxo-2-{[2-(trifluormethyl)phenyl]amino}ethyl-2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}benzoat [German] [ACD/IUPAC Name]
2-Oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl 2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}benzoate [ACD/IUPAC Name]
Benzoic acid, 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-, 2-oxo-2-[[2-(trifluoromethyl)phenyl]amino]ethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 661.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 353.9±31.5 °C
Index of Refraction: 1.598
Molar Refractivity: 113.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 422.26
ACD/KOC (pH 5.5): 2636.30
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 422.24
ACD/KOC (pH 7.4): 2636.19
Polar Surface Area: 101 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 55.8±5.0 dyne/cm
Molar Volume: 333.5±5.0 cm3

Click to predict properties on the Chemicalize site


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