ChemSpider 2D Image | (3S,4S)-N-[3,5-Bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-3,4-diethyl-5-oxo-3-pyrrolidinecarboxamide | C25H26F6N2O2

(3S,4S)-N-[3,5-Bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-3,4-diethyl-5-oxo-3-pyrrolidinecarboxamide

  • Molecular FormulaC25H26F6N2O2
  • Average mass500.477 Da
  • Monoisotopic mass500.189850 Da
  • ChemSpider ID76775566

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4S)-N-[3,5-Bis(trifluormethyl)phenyl]-1-(2,6-dimethylphenyl)-3,4-diethyl-5-oxo-3-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
(3S,4S)-N-[3,5-Bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-3,4-diethyl-5-oxo-3-pyrrolidinecarboxamide [ACD/IUPAC Name]
(3S,4S)-N-[3,5-Bis(trifluorométhyl)phényl]-1-(2,6-diméthylphényl)-3,4-diéthyl-5-oxo-3-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
3-Pyrrolidinecarboxamide, N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-3,4-diethyl-5-oxo-, (3S,4S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 602.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.4±31.5 °C
Index of Refraction: 1.516
Molar Refractivity: 118.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.63
ACD/LogD (pH 5.5): 6.49
ACD/BCF (pH 5.5): 50410.93
ACD/KOC (pH 5.5): 80844.05
ACD/LogD (pH 7.4): 6.49
ACD/BCF (pH 7.4): 50411.26
ACD/KOC (pH 7.4): 80844.59
Polar Surface Area: 49 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 392.2±3.0 cm3

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