2-(4-bromophenyl)-7-chloro-9-methyl-5-phenyl-3H-1,3,4-benzotriazepine
Chemical Structure Depiction of
2-(4-bromophenyl)-7-chloro-9-methyl-5-phenyl-3H-1,3,4-benzotriazepine
2-(4-bromophenyl)-7-chloro-9-methyl-5-phenyl-3H-1,3,4-benzotriazepine
Compound characteristics
| Compound ID: | 8008-7410 |
| Compound Name: | 2-(4-bromophenyl)-7-chloro-9-methyl-5-phenyl-3H-1,3,4-benzotriazepine |
| Molecular Weight: | 424.73 |
| Molecular Formula: | C21 H15 Br Cl N3 |
| Smiles: | Cc1cc(cc2C(c3ccccc3)=NNC(c3ccc(cc3)[Br])=Nc12)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.1505 |
| logD: | 6.9418 |
| logSw: | -6.6857 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.69 |
| InChI Key: | LRLNUYLABWOEHY-UHFFFAOYSA-N |