ChemSpider 2D Image | {2-[(5-Methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl}{4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl}methanone | C22H20F3N5O5

{2-[(5-Methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl}{4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl}methanone

  • Molecular FormulaC22H20F3N5O5
  • Average mass491.420 Da
  • Monoisotopic mass491.141663 Da
  • ChemSpider ID22333566

More details:

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

{2-[(5-Methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl}{4-[2-nitro-4-(trifluormethyl)phenyl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
{2-[(5-Methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl}{4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl}methanone [ACD/IUPAC Name]
{2-[(5-Méthyl-1,2,4-oxadiazol-3-yl)méthoxy]phényl}{4-[2-nitro-4-(trifluorométhyl)phényl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, [2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl][4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]- [ACD/Index 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: 670.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 359.3±34.3 °C
Index of Refraction: 1.585
Molar Refractivity: 115.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 252.12
ACD/KOC (pH 5.5): 1822.51
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 252.12
ACD/KOC (pH 7.4): 1822.52
Polar Surface Area: 118 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 345.4±3.0 cm3

Click to predict properties on the Chemicalize site


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