ChemSpider 2D Image | 1-Cyclopropyl-4-{4-[(5-methyl-3-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}-1H-pyrazol-1-yl)methyl]-2-pyridinyl}(~2~H_8_)piperazine | C26H18D8F3N7O2

1-Cyclopropyl-4-{4-[(5-methyl-3-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}-1H-pyrazol-1-yl)methyl]-2-pyridinyl}(2H8)piperazine

  • Molecular FormulaC26H18D8F3N7O2
  • Average mass533.575 Da
  • Monoisotopic mass533.260193 Da
  • ChemSpider ID128917781

  • Non-standard isotope - Non-standard isotope

More details:

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

1-Cyclopropyl-4-{4-[(5-methyl-3-{3-[4-(trifluormethoxy)phenyl]-1,2,4-oxadiazol-5-yl}-1H-pyrazol-1-yl)methyl]-2-pyridinyl}(2H8)piperazin [German] [ACD/IUPAC Name]
1-Cyclopropyl-4-{4-[(5-methyl-3-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}-1H-pyrazol-1-yl)methyl]-2-pyridinyl}(2H8)piperazine [ACD/IUPAC Name]
1-Cyclopropyl-4-{4-[(5-méthyl-3-{3-[4-(trifluorométhoxy)phényl]-1,2,4-oxadiazol-5-yl}-1H-pyrazol-1-yl)méthyl]-2-pyridinyl}(2H8)pipérazine [French] [ACD/IUPAC Name]
Piperazine-2,2,3,3,5,5,6,6-d8, 1-cyclopropyl-4-[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-1-yl]methyl]-2-pyridinyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 677.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 363.7±34.3 °C
Index of Refraction: 1.674
Molar Refractivity: 133.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.18
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 90.51
ACD/KOC (pH 7.4): 492.78
Polar Surface Area: 85 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 356.8±7.0 cm3

Click to predict properties on the Chemicalize site


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