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

(3-Hydroxy-4-nitrophenyl)[4-(1-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)-1-piperazinyl]methanone

  • Molecular FormulaC22H20F3N5O5
  • Average mass491.420 Da
  • Monoisotopic mass491.141663 Da
  • ChemSpider ID48098027

More details:

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

(3-Hydroxy-4-nitrophenyl)[4-(1-{3-[3-(trifluormethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)-1-piperazinyl]methanon [German] [ACD/IUPAC Name]
(3-Hydroxy-4-nitrophenyl)[4-(1-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)-1-piperazinyl]methanone [ACD/IUPAC Name]
(3-Hydroxy-4-nitrophényl)[4-(1-{3-[3-(trifluorométhyl)phényl]-1,2,4-oxadiazol-5-yl}éthyl)-1-pipérazinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, (3-hydroxy-4-nitrophenyl)[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-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: 643.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 342.8±34.3 °C
Index of Refraction: 1.596
Molar Refractivity: 115.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 302.75
ACD/KOC (pH 5.5): 2011.64
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 36.37
ACD/KOC (pH 7.4): 241.68
Polar Surface Area: 129 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 58.0±3.0 dyne/cm
Molar Volume: 339.5±3.0 cm3

Click to predict properties on the Chemicalize site


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