5-(4-bromophenyl)-1-ethyl-7-methyl-2-phenyl-1H-1,3,4-benzotriazepine
Chemical Structure Depiction of
5-(4-bromophenyl)-1-ethyl-7-methyl-2-phenyl-1H-1,3,4-benzotriazepine
5-(4-bromophenyl)-1-ethyl-7-methyl-2-phenyl-1H-1,3,4-benzotriazepine
Compound characteristics
| Compound ID: | 6676-0044 |
| Compound Name: | 5-(4-bromophenyl)-1-ethyl-7-methyl-2-phenyl-1H-1,3,4-benzotriazepine |
| Molecular Weight: | 418.33 |
| Molecular Formula: | C23 H20 Br N3 |
| Smiles: | CCN1C(c2ccccc2)=NN=C(c2ccc(cc2)[Br])c2cc(C)ccc12 |
| Stereo: | ACHIRAL |
| logP: | 6.4925 |
| logD: | 6.4924 |
| logSw: | -6.0308 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 21.916 |
| InChI Key: | BPHQODVTWOSKCC-UHFFFAOYSA-N |