ChemSpider 2D Image | 3-[3-(4-Methyl-1-piperazinyl)-7-(trifluoromethyl)-5-quinoxalinyl]phenol | C20H19F3N4O

3-[3-(4-Methyl-1-piperazinyl)-7-(trifluoromethyl)-5-quinoxalinyl]phenol

  • Molecular FormulaC20H19F3N4O
  • Average mass388.386 Da
  • Monoisotopic mass388.151093 Da
  • ChemSpider ID24692249

More details:

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

3-[3-(4-Methyl-1-piperazinyl)-7-(trifluormethyl)-5-chinoxalinyl]phenol [German] [ACD/IUPAC Name]
3-[3-(4-Methyl-1-piperazinyl)-7-(trifluoromethyl)-5-quinoxalinyl]phenol [ACD/IUPAC Name]
3-[3-(4-Méthyl-1-pipérazinyl)-7-(trifluorométhyl)-5-quinoxalinyl]phénol [French] [ACD/IUPAC Name]
3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol
Phenol, 3-[3-(4-methyl-1-piperazinyl)-7-(trifluoromethyl)-5-quinoxalinyl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL462712/
IHX

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

Density: 1.3±0.1 g/cm3
Boiling Point: 529.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.5±3.0 kJ/mol
Flash Point: 273.9±30.1 °C
Index of Refraction: 1.606
Molar Refractivity: 100.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 37.89
ACD/KOC (pH 5.5): 289.82
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 192.26
ACD/KOC (pH 7.4): 1470.68
Polar Surface Area: 52 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 290.5±3.0 cm3

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