2-(4-bromophenyl)-7-ethoxy-4-(4-ethoxyphenyl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
2-(4-bromophenyl)-7-ethoxy-4-(4-ethoxyphenyl)-1H-1,3,5-benzotriazepine
2-(4-bromophenyl)-7-ethoxy-4-(4-ethoxyphenyl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0087 |
| Compound Name: | 2-(4-bromophenyl)-7-ethoxy-4-(4-ethoxyphenyl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 464.36 |
| Molecular Formula: | C24 H22 Br N3 O2 |
| Smiles: | CCOc1ccc(cc1)C1N=C(c2ccc(cc2)[Br])Nc2ccc(cc2N=1)OCC |
| Stereo: | ACHIRAL |
| logP: | 6.4622 |
| logD: | 6.4617 |
| logSw: | -5.7751 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.722 |
| InChI Key: | OUDMKFYETSZWQB-UHFFFAOYSA-N |