ethyl 2-[2-(azepan-1-yl)-5-nitrobenzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-(azepan-1-yl)-5-nitrobenzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-(azepan-1-yl)-5-nitrobenzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3448-6617 |
| Compound Name: | ethyl 2-[2-(azepan-1-yl)-5-nitrobenzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 471.57 |
| Molecular Formula: | C24 H29 N3 O5 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(c1cc(ccc1N1CCCCCC1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.545 |
| logD: | 0.4844 |
| logSw: | -5.4126 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.662 |
| InChI Key: | PGWRGNMJWPDINY-UHFFFAOYSA-N |