ChemSpider 2D Image | Ethyl 4-(1,3-dioxo-5-{[3-(trifluoromethyl)phenyl]carbamoyl}-1,3-dihydro-2H-isoindol-2-yl)-1-piperidinecarboxylate | C24H22F3N3O5

Ethyl 4-(1,3-dioxo-5-{[3-(trifluoromethyl)phenyl]carbamoyl}-1,3-dihydro-2H-isoindol-2-yl)-1-piperidinecarboxylate

  • Molecular FormulaC24H22F3N3O5
  • Average mass489.444 Da
  • Monoisotopic mass489.151154 Da
  • ChemSpider ID22464533

More details:

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

1-Piperidinecarboxylic acid, 4-[1,3-dihydro-1,3-dioxo-5-[[[3-(trifluoromethyl)phenyl]amino]carbonyl]-2H-isoindol-2-yl]-, ethyl ester [ACD/Index Name]
4-(1,3-Dioxo-5-{[3-(trifluorométhyl)phényl]carbamoyl}-1,3-dihydro-2H-isoindol-2-yl)-1-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-(1,3-dioxo-5-{[3-(trifluoromethyl)phenyl]carbamoyl}-1,3-dihydro-2H-isoindol-2-yl)-1-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-(1,3-dioxo-5-{[3-(trifluormethyl)phenyl]carbamoyl}-1,3-dihydro-2H-isoindol-2-yl)-1-piperidincarboxylat [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: 545.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 283.7±30.1 °C
Index of Refraction: 1.607
Molar Refractivity: 117.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 218.57
ACD/KOC (pH 5.5): 1645.48
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 218.57
ACD/KOC (pH 7.4): 1645.45
Polar Surface Area: 96 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 57.7±3.0 dyne/cm
Molar Volume: 340.2±3.0 cm3

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