7-bromo-4-(4-butoxyphenyl)-2-(pyridin-4-yl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
7-bromo-4-(4-butoxyphenyl)-2-(pyridin-4-yl)-1H-1,3,5-benzotriazepine
7-bromo-4-(4-butoxyphenyl)-2-(pyridin-4-yl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0342 |
| Compound Name: | 7-bromo-4-(4-butoxyphenyl)-2-(pyridin-4-yl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 449.35 |
| Molecular Formula: | C23 H21 Br N4 O |
| Smiles: | CCCCOc1ccc(cc1)C1N=C(c2ccncc2)Nc2ccc(cc2N=1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.5732 |
| logD: | 5.571 |
| logSw: | -5.2759 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.321 |
| InChI Key: | HCMXMPDSEDOORC-UHFFFAOYSA-N |