2-{[4-Amino-3-(3-Fluoro-5-Hydroxyphenyl)-1H-Pyrazolo[3,4-D]Pyrimidin-1-Yl]Methyl}-5-Methyl-3-(2-Methylphenyl)-4(3H)-Quinazolinone

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Properties Simple | Detailed

Formula C28H22FN7O2
IUPAC Name 2-[[4-amino-3-(3-fluoro-5-hydroxy-phenyl)pyrazolo[3,4-d]pyrimidin-1-ium-2-id-1-yl]methyl]-5-methyl-3-(o-tolyl)quinazolin-4-one
Molecular Mass 507.518 g·mol−1
Heat of Formation 96.5 ± 16.7 kJ·mol−1
Dipole Moment 1.83 ± 1.08 D
Volume 579.29 Å 3
Surface Area 467.51 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
InChIKey AUNMZFMPIXHYCD-UHFFFAOYSA-N
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