N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-4-bromobenzamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-4-bromobenzamide
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-4-bromobenzamide
Compound characteristics
| Compound ID: | D345-0687 |
| Compound Name: | N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-4-bromobenzamide |
| Molecular Weight: | 431.37 |
| Molecular Formula: | C22 H27 Br N2 O2 |
| Smiles: | [H]N(CC(c1ccc(cc1)OC)N1CCCCCC1)C(c1ccc(cc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7116 |
| logD: | 4.5822 |
| logSw: | -4.217 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.516 |
| InChI Key: | OUBGVPUXEYDWDI-NRFANRHFSA-N |