ethyl 5,5-dimethyl-2-[2-(4-nitrophenyl)acetamido]-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
Chemical Structure Depiction of
ethyl 5,5-dimethyl-2-[2-(4-nitrophenyl)acetamido]-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
ethyl 5,5-dimethyl-2-[2-(4-nitrophenyl)acetamido]-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
Compound characteristics
| Compound ID: | 2944-0236 |
| Compound Name: | ethyl 5,5-dimethyl-2-[2-(4-nitrophenyl)acetamido]-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate |
| Molecular Weight: | 418.47 |
| Molecular Formula: | C20 H22 N2 O6 S |
| Smiles: | CCOC(c1c2CC(C)(C)OCc2sc1NC(Cc1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7708 |
| logD: | 1.0003 |
| logSw: | -4.2846 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.663 |
| InChI Key: | SRMBJTGVZJQPLY-UHFFFAOYSA-N |