4-[4-(benzyloxy)-3-methoxyphenyl]-7-fluoro-2-(pyridin-4-yl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
4-[4-(benzyloxy)-3-methoxyphenyl]-7-fluoro-2-(pyridin-4-yl)-1H-1,3,5-benzotriazepine
4-[4-(benzyloxy)-3-methoxyphenyl]-7-fluoro-2-(pyridin-4-yl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0254 |
| Compound Name: | 4-[4-(benzyloxy)-3-methoxyphenyl]-7-fluoro-2-(pyridin-4-yl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 452.49 |
| Molecular Formula: | C27 H21 F N4 O2 |
| Smiles: | COc1cc(ccc1OCc1ccccc1)C1N=C(c2ccncc2)Nc2ccc(cc2N=1)F |
| Stereo: | ACHIRAL |
| logP: | 4.5568 |
| logD: | 4.551 |
| logSw: | -4.54 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.848 |
| InChI Key: | ROFBFNDLDQEIDR-UHFFFAOYSA-N |