2-(4-bromophenyl)-4-(3,4-diethoxyphenyl)-7-methyl-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
2-(4-bromophenyl)-4-(3,4-diethoxyphenyl)-7-methyl-1H-1,3,5-benzotriazepine
2-(4-bromophenyl)-4-(3,4-diethoxyphenyl)-7-methyl-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0190 |
| Compound Name: | 2-(4-bromophenyl)-4-(3,4-diethoxyphenyl)-7-methyl-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 478.39 |
| Molecular Formula: | C25 H24 Br N3 O2 |
| Smiles: | CCOc1ccc(cc1OCC)C1N=C(c2ccc(cc2)[Br])Nc2ccc(C)cc2N=1 |
| Stereo: | ACHIRAL |
| logP: | 5.9395 |
| logD: | 5.9291 |
| logSw: | -5.5606 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.896 |
| InChI Key: | DMBVAOSUVWCXFU-UHFFFAOYSA-N |