| Formula |
C28H22FN7O2 |
| IUPAC Name |
2-[[4-amino-3-(3-fluoro-4-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 |
109.5 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.24 ± 1.08 D |
| Volume |
577.28 Å 3 |
| Surface Area |
467.21 Å 2 |
| HOMO Energy |
-8.92 ± 0.55 eV |
| LUMO Energy |
2.34 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
TYLTZPAGUBOPCU-UHFFFAOYSA-N |
| QR Code |
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| Links |
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|
| DOI |
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| Downloads |
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|
| Elements |
H
C
F
O
N
|
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