ethyl 2-[2-(4-benzylpiperazin-1-yl)-5-nitrobenzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-(4-benzylpiperazin-1-yl)-5-nitrobenzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-(4-benzylpiperazin-1-yl)-5-nitrobenzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2789-1252 |
| Compound Name: | ethyl 2-[2-(4-benzylpiperazin-1-yl)-5-nitrobenzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 548.66 |
| Molecular Formula: | C29 H32 N4 O5 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(c1cc(ccc1N1CCN(CC1)Cc1ccccc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3654 |
| logD: | 0.3048 |
| logSw: | -5.3586 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.872 |
| InChI Key: | MCHMCUJNESZUOB-UHFFFAOYSA-N |