N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenoxy)acetamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenoxy)acetamide
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenoxy)acetamide
Compound characteristics
| Compound ID: | D345-0706 |
| Compound Name: | N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenoxy)acetamide |
| Molecular Weight: | 427.5 |
| Molecular Formula: | C23 H29 N3 O5 |
| Smiles: | [H]N(CC(c1ccc(cc1)OC)N1CCCCCC1)C(COc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6001 |
| logD: | 3.0994 |
| logSw: | -3.6122 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.183 |
| InChI Key: | DQIWYUTZKRTDNQ-QFIPXVFZSA-N |