ethyl 2-(4-nitrobenzamido)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-nitrobenzamido)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(4-nitrobenzamido)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3473-2723 |
| Compound Name: | ethyl 2-(4-nitrobenzamido)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 388.4 |
| Molecular Formula: | C18 H16 N2 O6 S |
| Smiles: | CCOC(c1c2CCCC(c2sc1NC(c1ccc(cc1)[N+]([O-])=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4336 |
| logD: | -0.9034 |
| logSw: | -4.1694 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.428 |
| InChI Key: | YNDUUNDQXJEZFB-UHFFFAOYSA-N |