N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-nitrobenzamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-nitrobenzamide
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-nitrobenzamide
Compound characteristics
| Compound ID: | D345-0703 |
| Compound Name: | N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-nitrobenzamide |
| Molecular Weight: | 433.93 |
| Molecular Formula: | C22 H27 N3 O4 |
| Salt: | HCl |
| Smiles: | [H]N(CC(c1ccc(cc1)OC)N1CCCCCC1)C(c1ccccc1[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8642 |
| logD: | 3.7296 |
| logSw: | -4 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.596 |
| InChI Key: | WQYOWKTVDIMTDY-NRFANRHFSA-N |