ChemSpider 2D Image | 6-[3-([1,3]Oxazolo[4,5-b]pyridin-2-yl)-2-(trifluoromethyl)phenoxy]-1-(2,4,6-trifluorobenzyl)-4(1H)-quinazolinone | C28H14F6N4O3

6-[3-([1,3]Oxazolo[4,5-b]pyridin-2-yl)-2-(trifluoromethyl)phenoxy]-1-(2,4,6-trifluorobenzyl)-4(1H)-quinazolinone

  • Molecular FormulaC28H14F6N4O3
  • Average mass568.426 Da
  • Monoisotopic mass568.096985 Da
  • ChemSpider ID31138343

More details:

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

4(1H)-Quinazolinone, 6-[3-oxazolo[4,5-b]pyridin-2-yl-2-(trifluoromethyl)phenoxy]-1-[(2,4,6-trifluorophenyl)methyl]- [ACD/Index Name]
6-[3-([1,3]Oxazolo[4,5-b]pyridin-2-yl)-2-(trifluormethyl)phenoxy]-1-(2,4,6-trifluorbenzyl)-4(1H)-chinazolinon [German] [ACD/IUPAC Name]
6-[3-([1,3]Oxazolo[4,5-b]pyridin-2-yl)-2-(trifluoromethyl)phenoxy]-1-(2,4,6-trifluorobenzyl)-4(1H)-quinazolinone [ACD/IUPAC Name]
6-[3-([1,3]Oxazolo[4,5-b]pyridin-2-yl)-2-(trifluorométhyl)phénoxy]-1-(2,4,6-trifluorobenzyl)-4(1H)-quinazolinone [French] [ACD/IUPAC Name]
6-[3-([1,3]oxazolo[4,5-B]pyridin-2-Yl)-2-(Trifluoromethyl)phenoxy]-1-(2,4,6-Trifluorobenzyl)quinazolin-4(1h)-One
1NZ

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

Density: 1.5±0.1 g/cm3
Boiling Point: 634.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 337.5±34.3 °C
Index of Refraction: 1.638
Molar Refractivity: 132.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.73
ACD/LogD (pH 5.5): 5.71
ACD/BCF (pH 5.5): 12899.06
ACD/KOC (pH 5.5): 30473.58
ACD/LogD (pH 7.4): 5.71
ACD/BCF (pH 7.4): 12899.29
ACD/KOC (pH 7.4): 30474.11
Polar Surface Area: 81 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 45.6±7.0 dyne/cm
Molar Volume: 369.3±7.0 cm3

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