ChemSpider 2D Image | Methyl (1R,5S)-8-{[2-(4-methoxyphenoxy)ethyl]carbamoyl}-3-[4-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate | C26H27F3N2O6

Methyl (1R,5S)-8-{[2-(4-methoxyphenoxy)ethyl]carbamoyl}-3-[4-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate

  • Molecular FormulaC26H27F3N2O6
  • Average mass520.498 Da
  • Monoisotopic mass520.182129 Da
  • ChemSpider ID26358230

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5S)-8-{[2-(4-Méthoxyphénoxy)éthyl]carbamoyl}-3-[4-(trifluorométhoxy)phényl]-8-azabicyclo[3.2.1]oct-2-ène-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid, 8-[[[2-(4-methoxyphenoxy)ethyl]amino]carbonyl]-3-[4-(trifluoromethoxy)phenyl]-, methyl ester, (1R,5S)- [ACD/Index Name]
Methyl (1R,5S)-8-{[2-(4-methoxyphenoxy)ethyl]carbamoyl}-3-[4-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate [ACD/IUPAC Name]
Methyl-(1R,5S)-8-{[2-(4-methoxyphenoxy)ethyl]carbamoyl}-3-[4-(trifluormethoxy)phenyl]-8-azabicyclo[3.2.1]oct-2-en-2-carboxylat [German] [ACD/IUPAC 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: 655.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 350.3±31.5 °C
Index of Refraction: 1.554
Molar Refractivity: 126.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2035.65
ACD/KOC (pH 5.5): 8127.67
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2035.64
ACD/KOC (pH 7.4): 8127.65
Polar Surface Area: 86 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 394.5±3.0 cm3

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