N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-4-nitrobenzamide
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | D345-0697 |
| Compound Name: | N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-4-nitrobenzamide |
| Molecular Weight: | 397.47 |
| Molecular Formula: | C22 H27 N3 O4 |
| Smiles: | [H]N(CC(c1ccc(cc1)OC)N1CCCCCC1)C(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8034 |
| logD: | 3.6741 |
| logSw: | -3.966 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.897 |
| InChI Key: | GWRWPZYGKYWJEC-NRFANRHFSA-N |