7-bromo-4-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
7-bromo-4-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1H-1,3,5-benzotriazepine
7-bromo-4-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0113 |
| Compound Name: | 7-bromo-4-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 438.3 |
| Molecular Formula: | C22 H17 Br F N3 O |
| Smiles: | CCOc1ccc(cc1)C1N=C(c2ccc(cc2)F)Nc2ccc(cc2N=1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.7879 |
| logD: | 5.7857 |
| logSw: | -5.6018 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.599 |
| InChI Key: | BCWZQIBPQNTWRA-UHFFFAOYSA-N |