ethyl 2-[2-(4-benzylpiperidin-1-yl)-5-nitrobenzamido]-5-ethylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-(4-benzylpiperidin-1-yl)-5-nitrobenzamido]-5-ethylthiophene-3-carboxylate
ethyl 2-[2-(4-benzylpiperidin-1-yl)-5-nitrobenzamido]-5-ethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8010-4051 |
| Compound Name: | ethyl 2-[2-(4-benzylpiperidin-1-yl)-5-nitrobenzamido]-5-ethylthiophene-3-carboxylate |
| Molecular Weight: | 521.64 |
| Molecular Formula: | C28 H31 N3 O5 S |
| Smiles: | CCc1cc(C(=O)OCC)c(NC(c2cc(ccc2N2CCC(CC2)Cc2ccccc2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.9601 |
| logD: | 2.9553 |
| logSw: | -5.7642 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.139 |
| InChI Key: | IZLOIPJFLQAWKP-UHFFFAOYSA-N |