ethyl 5,5-dimethyl-2-(4-nitrobenzamido)-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
Chemical Structure Depiction of
ethyl 5,5-dimethyl-2-(4-nitrobenzamido)-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
ethyl 5,5-dimethyl-2-(4-nitrobenzamido)-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
Compound characteristics
| Compound ID: | 3807-3101 |
| Compound Name: | ethyl 5,5-dimethyl-2-(4-nitrobenzamido)-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate |
| Molecular Weight: | 404.44 |
| Molecular Formula: | C19 H20 N2 O6 S |
| Smiles: | CCOC(c1c2CC(C)(C)OCc2sc1NC(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9087 |
| logD: | 0.0818 |
| logSw: | -4.3588 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.877 |
| InChI Key: | QTCXJTYGHMGCTK-UHFFFAOYSA-N |