ethyl 2-[(benzoylcarbamothioyl)amino]-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(benzoylcarbamothioyl)amino]-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
ethyl 2-[(benzoylcarbamothioyl)amino]-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
Compound characteristics
| Compound ID: | 2969-0263 |
| Compound Name: | ethyl 2-[(benzoylcarbamothioyl)amino]-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate |
| Molecular Weight: | 418.53 |
| Molecular Formula: | C20 H22 N2 O4 S2 |
| Smiles: | CCOC(c1c2CC(C)(C)OCc2sc1NC(NC(c1ccccc1)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3251 |
| logD: | 2.4912 |
| logSw: | -4.4812 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.405 |
| InChI Key: | JDASTVRHVYWPRX-UHFFFAOYSA-N |