ChemSpider 2D Image | 1-(4-Methoxybenzyl)-5-(trifluoromethoxy)-1H-indole-2,3-dione | C17H12F3NO4

1-(4-Methoxybenzyl)-5-(trifluoromethoxy)-1H-indole-2,3-dione

  • Molecular FormulaC17H12F3NO4
  • Average mass351.277 Da
  • Monoisotopic mass351.071838 Da
  • ChemSpider ID24606034

More details:






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

1-(4-Methoxybenzyl)-5-(trifluoromethoxy)-1H-indole-2,3-dione [ACD/IUPAC Name]
1-(4-Methoxybenzyl)-5-(trifluormethoxy)-1H-indol-2,3-dion [German] [ACD/IUPAC Name]
1-(4-Méthoxybenzyl)-5-(trifluorométhoxy)-1H-indole-2,3-dione [French] [ACD/IUPAC Name]
1H-Indole-2,3-dione, 1-[(4-methoxyphenyl)methyl]-5-(trifluoromethoxy)- [ACD/Index Name]
VU0238429
VU-0238429 [Wiki]
[1160247-92-6]
1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2,3-dione
1-(4-Methoxy-benzyl)-5-trifluoromethoxy-1H-indole-2,3-dione
1-(4-Methoxybenzyl)-5-trifluoromethoxyisatin
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 1786
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 1786
      no pictogram Axon Medchem 1786
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 1786
      Warning Axon Medchem 1786
    • Bio Activity:

      7-TM Receptors Tocris Bioscience 3634
      Acetylcholine (Muscarinic) Receptors Tocris Bioscience 3634
      Acetylcholine Muscarinic Receptors Tocris Bioscience 3634
      M5 Receptors Tocris Bioscience 3634
      Selective positive allosteric modulator of M5 receptors Tocris Bioscience 3634
      Selective positive allosteric modulator of M5 receptors (EC50 values are 1.16, >30 and >30 ?M at M5, M1 and M3 receptors respectively). Displays no activity at M2 and M4 receptors. Tocris Bioscience 3634
      Selective positive allosteric modulator of M5 receptors (EC50 values are 1.16, >30 and >30 muM at M5, M1 and M3 receptors respectively). Displays no activity at M2 and M4 receptors. Tocris Bioscience 3634

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

Density: 1.4±0.1 g/cm3
Boiling Point: 459.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.0±3.0 kJ/mol
Flash Point: 231.8±31.5 °C
Index of Refraction: 1.571
Molar Refractivity: 80.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 173.52
ACD/KOC (pH 5.5): 1394.85
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 173.52
ACD/KOC (pH 7.4): 1394.85
Polar Surface Area: 56 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 245.3±3.0 cm3

Click to predict properties on the Chemicalize site





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