ChemSpider 2D Image | Ethyl 4-cyclopropyl-2-({[5-oxo-1-(2,2,2-trifluoroethyl)-3-pyrrolidinyl]carbonyl}amino)-3-thiophenecarboxylate | C17H19F3N2O4S

Ethyl 4-cyclopropyl-2-({[5-oxo-1-(2,2,2-trifluoroethyl)-3-pyrrolidinyl]carbonyl}amino)-3-thiophenecarboxylate

  • Molecular FormulaC17H19F3N2O4S
  • Average mass404.404 Da
  • Monoisotopic mass404.101776 Da
  • ChemSpider ID31481260

More details:

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

3-Thiophenecarboxylic acid, 4-cyclopropyl-2-[[[5-oxo-1-(2,2,2-trifluoroethyl)-3-pyrrolidinyl]carbonyl]amino]-, ethyl ester [ACD/Index Name]
4-Cyclopropyl-2-({[5-oxo-1-(2,2,2-trifluoroéthyl)-3-pyrrolidinyl]carbonyl}amino)-3-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-cyclopropyl-2-({[5-oxo-1-(2,2,2-trifluoroethyl)-3-pyrrolidinyl]carbonyl}amino)-3-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl-4-cyclopropyl-2-({[5-oxo-1-(2,2,2-trifluorethyl)-3-pyrrolidinyl]carbonyl}amino)-3-thiophencarboxylat [German] [ACD/IUPAC 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: 565.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.9±3.0 kJ/mol
Flash Point: 295.7±30.1 °C
Index of Refraction: 1.573
Molar Refractivity: 92.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 107.76
ACD/KOC (pH 5.5): 991.83
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 107.76
ACD/KOC (pH 7.4): 991.83
Polar Surface Area: 104 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 280.7±3.0 cm3

Click to predict properties on the Chemicalize site


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