ethyl 2-[2-(azepan-1-yl)-5-nitrobenzamido]-4,5-dimethylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-(azepan-1-yl)-5-nitrobenzamido]-4,5-dimethylthiophene-3-carboxylate
ethyl 2-[2-(azepan-1-yl)-5-nitrobenzamido]-4,5-dimethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8010-5374 |
| Compound Name: | ethyl 2-[2-(azepan-1-yl)-5-nitrobenzamido]-4,5-dimethylthiophene-3-carboxylate |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C22 H27 N3 O5 S |
| Smiles: | CCOC(c1c(C)c(C)sc1NC(c1cc(ccc1N1CCCCCC1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0873 |
| logD: | -0.0145 |
| logSw: | -4.9794 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.742 |
| InChI Key: | XGPZZOMTNWMZPP-UHFFFAOYSA-N |