ChemSpider 2D Image | Methyl (3R,6S)-6-({(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}methyl)-6-phenyl-3-(4H-1,2,4-triazol-4-yl)-3-piperidinecarboxylate | C26H26F6N4O3

Methyl (3R,6S)-6-({(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}methyl)-6-phenyl-3-(4H-1,2,4-triazol-4-yl)-3-piperidinecarboxylate

  • Molecular FormulaC26H26F6N4O3
  • Average mass556.500 Da
  • Monoisotopic mass556.190918 Da
  • ChemSpider ID9788505

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,6S)-6-({(1R)-1-[3,5-Bis(trifluorométhyl)phényl]éthoxy}méthyl)-6-phényl-3-(4H-1,2,4-triazol-4-yl)-3-pipéridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenyl-3-(4H-1,2,4-triazol-4-yl)-, methyl ester, (3R,6S)- [ACD/Index Name]
Methyl (3R,6S)-6-({(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}methyl)-6-phenyl-3-(4H-1,2,4-triazol-4-yl)-3-piperidinecarboxylate [ACD/IUPAC Name]
Methyl-(3R,6S)-6-({(1R)-1-[3,5-bis(trifluormethyl)phenyl]ethoxy}methyl)-6-phenyl-3-(4H-1,2,4-triazol-4-yl)-3-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: 537.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 278.7±32.9 °C
Index of Refraction: 1.549
Molar Refractivity: 129.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 695.63
ACD/KOC (pH 5.5): 2355.64
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3450.41
ACD/KOC (pH 7.4): 11684.17
Polar Surface Area: 78 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 39.1±7.0 dyne/cm
Molar Volume: 408.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement