ChemSpider 2D Image | TPPU | C16H20F3N3O3

TPPU

  • Molecular FormulaC16H20F3N3O3
  • Average mass359.344 Da
  • Monoisotopic mass359.145691 Da
  • ChemSpider ID26366660

More details:






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

1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea
1-(1-Propionyl-4-piperidinyl)-3-[4-(trifluormethoxy)phenyl]harnstoff [German] [ACD/IUPAC Name]
1-(1-Propionyl-4-piperidinyl)-3-[4-(trifluoromethoxy)phenyl]urea [ACD/IUPAC Name]
1-(1-Propionyl-4-pipéridinyl)-3-[4-(trifluorométhoxy)phényl]urée [French] [ACD/IUPAC Name]
1222780-33-7 [RN]
TPPU
Urea, N-[1-(1-oxopropyl)-4-piperidinyl]-N'-[4-(trifluoromethoxy)phenyl]- [ACD/Index Name]
[1222780-33-7]
2RV
3-(1-PROPANOYLPIPERIDIN-4-YL)-1-[4-(TRIFLUOROMETHOXY)PHENYL]UREA
More...

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

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Enzymes Tocris Bioscience 5918
      Hydrolases Tocris Bioscience 5918
      Other Hydrolases Tocris Bioscience 5918
      Potent soluble epoxide hydrolase (sEH) inhibitor (IC50 values are 1.1 and 2.1 nM for murine and human receptor, respectively). Inhibits MAPK and NF-?B signaling, as well as reducing ER stress and cell death in models of pancreatitis. Exhibits antidepressant effects in a social defeat stress model. Orally bioavailable and brain penetrant. Tocris Bioscience 5918
      Potent soluble epoxide hydrolase (sEH) inhibitor (IC50 values are 1.1 and 2.1 nM for murine and human receptor, respectively). Inhibits MAPK and NF-kappaB signaling, as well as reducing ER stress and cell death in models of pancreatitis. Exhibits antidepressant effects in a social defeat stress model. Orally bioavailable and brain penetrant. Tocris Bioscience 5918
      Potent soluble epoxide hydrolase inhibitor; orally bioavailable and brain penetrant Tocris Bioscience 5918

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 448.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.8±3.0 kJ/mol
Flash Point: 225.3±28.7 °C
Index of Refraction: 1.532
Molar Refractivity: 84.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 57.73
ACD/KOC (pH 5.5): 634.47
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 57.72
ACD/KOC (pH 7.4): 634.44
Polar Surface Area: 71 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 45.5±5.0 dyne/cm
Molar Volume: 272.8±5.0 cm3

Click to predict properties on the Chemicalize site






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