N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-2-(4-nitrophenoxy)acetamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-2-(4-nitrophenoxy)acetamide
N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-2-(4-nitrophenoxy)acetamide
Compound characteristics
| Compound ID: | D388-0667 |
| Compound Name: | N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-2-(4-nitrophenoxy)acetamide |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C20 H25 N3 O4 S |
| Smiles: | [H]N(CC(c1cccs1)N1CCCCCC1)C(COc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2648 |
| logD: | 2.7155 |
| logSw: | -3.4315 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.658 |
| InChI Key: | HJLWIRVRYWDULT-SFHVURJKSA-N |