ethyl 2-(4-methoxy-3-nitrobenzamido)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-methoxy-3-nitrobenzamido)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
ethyl 2-(4-methoxy-3-nitrobenzamido)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
Compound characteristics
| Compound ID: | 7576-1262 |
| Compound Name: | ethyl 2-(4-methoxy-3-nitrobenzamido)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate |
| Molecular Weight: | 434.47 |
| Molecular Formula: | C20 H22 N2 O7 S |
| Smiles: | CCOC(c1c2CC(C)(C)OCc2sc1NC(c1ccc(c(c1)[N+]([O-])=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4817 |
| logD: | -1.0078 |
| logSw: | -4.1816 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.206 |
| InChI Key: | IODQKTPLPZRONC-UHFFFAOYSA-N |