ChemSpider 2D Image | (4-{[3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-piperidinyl)(3,4,5-triethoxyphenyl)methanone | C27H32FN3O5

(4-{[3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-piperidinyl)(3,4,5-triethoxyphenyl)methanone

  • Molecular FormulaC27H32FN3O5
  • Average mass497.559 Da
  • Monoisotopic mass497.232605 Da
  • ChemSpider ID44225858

More details:

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

(4-{[3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-piperidinyl)(3,4,5-triethoxyphenyl)methanone [ACD/IUPAC Name]
(4-{[3-(4-Fluorophényl)-1,2,4-oxadiazol-5-yl]méthyl}-1-pipéridinyl)(3,4,5-triéthoxyphényl)méthanone [French] [ACD/IUPAC Name]
(4-{[3-(4-Fluorphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-piperidinyl)(3,4,5-triethoxyphenyl)methanon [German] [ACD/IUPAC Name]
Methanone, [4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperidinyl](3,4,5-triethoxyphenyl)- [ACD/Index Name]
(4-{[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidino)(3,4,5-triethoxyphenyl)methanone

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

Density: 1.2±0.1 g/cm3
Boiling Point: 658.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 351.7±34.3 °C
Index of Refraction: 1.554
Molar Refractivity: 132.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.43
ACD/LogD (pH 5.5): 4.79
ACD/BCF (pH 5.5): 2564.26
ACD/KOC (pH 5.5): 9588.05
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2564.26
ACD/KOC (pH 7.4): 9588.06
Polar Surface Area: 87 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 413.1±3.0 cm3

Click to predict properties on the Chemicalize site


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