ChemSpider 2D Image | 2,5-Dimethyl-3-[4-({3-[3-(trifluoromethyl)benzyl]-1,2,4-oxadiazol-5-yl}methyl)-1-piperazinyl]pyrazine | C21H23F3N6O

2,5-Dimethyl-3-[4-({3-[3-(trifluoromethyl)benzyl]-1,2,4-oxadiazol-5-yl}methyl)-1-piperazinyl]pyrazine

  • Molecular FormulaC21H23F3N6O
  • Average mass432.442 Da
  • Monoisotopic mass432.188538 Da
  • ChemSpider ID22126012

More details:

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

2,5-Dimethyl-3-[4-({3-[3-(trifluormethyl)benzyl]-1,2,4-oxadiazol-5-yl}methyl)-1-piperazinyl]pyrazin [German] [ACD/IUPAC Name]
2,5-Dimethyl-3-[4-({3-[3-(trifluoromethyl)benzyl]-1,2,4-oxadiazol-5-yl}methyl)-1-piperazinyl]pyrazine [ACD/IUPAC Name]
2,5-Diméthyl-3-[4-({3-[3-(trifluorométhyl)benzyl]-1,2,4-oxadiazol-5-yl}méthyl)-1-pipérazinyl]pyrazine [French] [ACD/IUPAC Name]
Pyrazine, 2,5-dimethyl-3-[4-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-piperazinyl]- [ACD/Index 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: 553.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 288.4±32.9 °C
Index of Refraction: 1.562
Molar Refractivity: 107.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 368.47
ACD/KOC (pH 5.5): 2158.86
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 525.20
ACD/KOC (pH 7.4): 3077.11
Polar Surface Area: 71 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 332.2±3.0 cm3

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