4-[2-(4-bromophenyl)-7-ethyl-1H-1,3,5-benzotriazepin-4-yl]-N,N-dimethylaniline
Chemical Structure Depiction of
4-[2-(4-bromophenyl)-7-ethyl-1H-1,3,5-benzotriazepin-4-yl]-N,N-dimethylaniline
4-[2-(4-bromophenyl)-7-ethyl-1H-1,3,5-benzotriazepin-4-yl]-N,N-dimethylaniline
Compound characteristics
| Compound ID: | D165-0088 |
| Compound Name: | 4-[2-(4-bromophenyl)-7-ethyl-1H-1,3,5-benzotriazepin-4-yl]-N,N-dimethylaniline |
| Molecular Weight: | 447.38 |
| Molecular Formula: | C24 H23 Br N4 |
| Smiles: | CCc1ccc2c(c1)N=C(c1ccc(cc1)N(C)C)N=C(c1ccc(cc1)[Br])N2 |
| Stereo: | ACHIRAL |
| logP: | 6.4138 |
| logD: | 6.4068 |
| logSw: | -5.8572 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.28 |
| InChI Key: | JDJOGSNTEUVHAD-UHFFFAOYSA-N |