ChemSpider 2D Image | 3-{[4-Oxo-1-(2,4,6-trifluorobenzyl)-1,4-dihydro-6-quinazolinyl]oxy}-N-(3-pyridinyl)-2-(trifluoromethyl)benzamide | C28H16F6N4O3

3-{[4-Oxo-1-(2,4,6-trifluorobenzyl)-1,4-dihydro-6-quinazolinyl]oxy}-N-(3-pyridinyl)-2-(trifluoromethyl)benzamide

  • Molecular FormulaC28H16F6N4O3
  • Average mass570.442 Da
  • Monoisotopic mass570.112671 Da
  • ChemSpider ID31138341

More details:






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

3-{[4-Oxo-1-(2,4,6-trifluorbenzyl)-1,4-dihydro-6-chinazolinyl]oxy}-N-(3-pyridinyl)-2-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
3-{[4-Oxo-1-(2,4,6-trifluorobenzyl)-1,4-dihydro-6-quinazolinyl]oxy}-N-(3-pyridinyl)-2-(trifluoromethyl)benzamide [ACD/IUPAC Name]
3-{[4-Oxo-1-(2,4,6-trifluorobenzyl)-1,4-dihydro-6-quinazolinyl]oxy}-N-(3-pyridinyl)-2-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]
3-{[4-Oxo-1-(2,4,6-Trifluorobenzyl)-1,4-Dihydroquinazolin-6-Yl]oxy}-N-(Pyridin-3-Yl)-2-(Trifluoromethyl)benzamide
Benzamide, 3-[[1,4-dihydro-4-oxo-1-[(2,4,6-trifluorophenyl)methyl]-6-quinazolinyl]oxy]-N-3-pyridinyl-2-(trifluoromethyl)- [ACD/Index Name]
1NW

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.610
Molar Refractivity: 134.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 1484.12
ACD/KOC (pH 5.5): 6328.22
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 1613.47
ACD/KOC (pH 7.4): 6879.79
Polar Surface Area: 84 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 44.1±7.0 dyne/cm
Molar Volume: 388.7±7.0 cm3

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