2-(4-bromophenyl)-7-chloro-5-phenyl-3H-1,3,4-benzotriazepine
Chemical Structure Depiction of
2-(4-bromophenyl)-7-chloro-5-phenyl-3H-1,3,4-benzotriazepine
2-(4-bromophenyl)-7-chloro-5-phenyl-3H-1,3,4-benzotriazepine
Compound characteristics
| Compound ID: | 3224-0008 |
| Compound Name: | 2-(4-bromophenyl)-7-chloro-5-phenyl-3H-1,3,4-benzotriazepine |
| Molecular Weight: | 410.7 |
| Molecular Formula: | C20 H13 Br Cl N3 |
| Smiles: | c1ccc(cc1)C1c2cc(ccc2N=C(c2ccc(cc2)[Br])NN=1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.8955 |
| logD: | 5.7075 |
| logSw: | -6.3413 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.942 |
| InChI Key: | UFORYSBQJBAPHO-UHFFFAOYSA-N |