ethyl 2-(4-ethoxy-3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-ethoxy-3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(4-ethoxy-3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2026-4027 |
| Compound Name: | ethyl 2-(4-ethoxy-3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 418.47 |
| Molecular Formula: | C20 H22 N2 O6 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(c1ccc(c(c1)[N+]([O-])=O)OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1014 |
| logD: | -0.3675 |
| logSw: | -4.4539 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.089 |
| InChI Key: | GKDZPTOSKXINSY-UHFFFAOYSA-N |