N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-2-(2-nitrophenoxy)acetamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-2-(2-nitrophenoxy)acetamide--hydrogen chloride (1/1)
N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-2-(2-nitrophenoxy)acetamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D388-0656 |
| Compound Name: | N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-2-(2-nitrophenoxy)acetamide--hydrogen chloride (1/1) |
| Molecular Weight: | 439.96 |
| Molecular Formula: | C20 H25 N3 O4 S |
| Salt: | HCl |
| Smiles: | [H]N(CC(c1cccs1)N1CCCCCC1)C(COc1ccccc1[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.046 |
| logD: | 2.4966 |
| logSw: | -3.5342 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.443 |
| InChI Key: | DHPGTKNRGHDNRL-KRWDZBQOSA-N |