4-[4-(benzyloxy)-3-methoxyphenyl]-7-bromo-2-(pyridin-4-yl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
4-[4-(benzyloxy)-3-methoxyphenyl]-7-bromo-2-(pyridin-4-yl)-1H-1,3,5-benzotriazepine
4-[4-(benzyloxy)-3-methoxyphenyl]-7-bromo-2-(pyridin-4-yl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0269 |
| Compound Name: | 4-[4-(benzyloxy)-3-methoxyphenyl]-7-bromo-2-(pyridin-4-yl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 513.39 |
| Molecular Formula: | C27 H21 Br N4 O2 |
| Smiles: | COc1cc(ccc1OCc1ccccc1)C1N=C(c2ccncc2)Nc2ccc(cc2N=1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.2802 |
| logD: | 5.275 |
| logSw: | -5.2899 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.848 |
| InChI Key: | VBULEFXLXWIUMB-UHFFFAOYSA-N |