ethyl 2-[2-(azepan-1-yl)-5-nitrobenzamido]-5-ethylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-(azepan-1-yl)-5-nitrobenzamido]-5-ethylthiophene-3-carboxylate
ethyl 2-[2-(azepan-1-yl)-5-nitrobenzamido]-5-ethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8011-3272 |
| Compound Name: | ethyl 2-[2-(azepan-1-yl)-5-nitrobenzamido]-5-ethylthiophene-3-carboxylate |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C22 H27 N3 O5 S |
| Smiles: | CCc1cc(C(=O)OCC)c(NC(c2cc(ccc2N2CCCCCC2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.4852 |
| logD: | 1.4803 |
| logSw: | -5.3091 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.742 |
| InChI Key: | QCBSBZUXOJYAHD-UHFFFAOYSA-N |