ChemSpider 2D Image | 6,7-Difluoro-3-({4-[6-(trifluoromethyl)-4-pyrimidinyl]-1-piperazinyl}carbonyl)-4(1H)-quinolinone | C19H14F5N5O2

6,7-Difluoro-3-({4-[6-(trifluoromethyl)-4-pyrimidinyl]-1-piperazinyl}carbonyl)-4(1H)-quinolinone

  • Molecular FormulaC19H14F5N5O2
  • Average mass439.339 Da
  • Monoisotopic mass439.106781 Da
  • ChemSpider ID75765208

More details:

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

4(1H)-Quinolinone, 6,7-difluoro-3-[[4-[6-(trifluoromethyl)-4-pyrimidinyl]-1-piperazinyl]carbonyl]- [ACD/Index Name]
6,7-Difluor-3-({4-[6-(trifluormethyl)-4-pyrimidinyl]-1-piperazinyl}carbonyl)-4(1H)-chinolinon [German] [ACD/IUPAC Name]
6,7-Difluoro-3-({4-[6-(trifluorométhyl)-4-pyrimidinyl]-1-pipérazinyl}carbonyl)-4(1H)-quinoléinone [French] [ACD/IUPAC Name]
6,7-Difluoro-3-({4-[6-(trifluoromethyl)-4-pyrimidinyl]-1-piperazinyl}carbonyl)-4(1H)-quinolinone [ACD/IUPAC 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: 607.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 321.0±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 95.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 76.63
ACD/KOC (pH 5.5): 776.65
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 76.76
ACD/KOC (pH 7.4): 778.00
Polar Surface Area: 78 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 288.5±3.0 cm3

Click to predict properties on the Chemicalize site


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