6-[3-([1,3]Oxazolo[4,5-B]Pyridin-2-Yl)-2-(Trifluoromethyl)Phenoxy]-1-(2,4,6-Trifluorobenzyl)-4(1H)-Quinazolinone

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Properties Simple | Detailed

Formula C28H15F6N4O3+
IUPAC Name 6-[3-oxazolo[4,5-b]pyridin-2-yl-2-(trifluoromethyl)phenoxy]-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-1-ium-3-id-4-one
Molecular Mass 569.434 g·mol−1
Heat of Formation -975.3 ± 16.7 kJ·mol−1
Dipole Moment 11.42 ± 1.08 D
Volume 572.73 Å 3
Surface Area 477.11 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -1.51 ± eV
Point Group Symmetry C1
InChIKey KGAIWLNRBURDCW-UHFFFAOYSA-N
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