ethyl 2-[4-(4-benzylpiperazin-1-yl)-3-nitrobenzamido]-5-ethylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[4-(4-benzylpiperazin-1-yl)-3-nitrobenzamido]-5-ethylthiophene-3-carboxylate
ethyl 2-[4-(4-benzylpiperazin-1-yl)-3-nitrobenzamido]-5-ethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8010-4053 |
| Compound Name: | ethyl 2-[4-(4-benzylpiperazin-1-yl)-3-nitrobenzamido]-5-ethylthiophene-3-carboxylate |
| Molecular Weight: | 522.62 |
| Molecular Formula: | C27 H30 N4 O5 S |
| Smiles: | CCc1cc(C(=O)OCC)c(NC(c2ccc(c(c2)[N+]([O-])=O)N2CCN(CC2)Cc2ccccc2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.1775 |
| logD: | 1.2605 |
| logSw: | -4.9782 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.65 |
| InChI Key: | IWNNNMDGGSGDCK-UHFFFAOYSA-N |