ethyl 2-[(benzylcarbamothioyl)amino]-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(benzylcarbamothioyl)amino]-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
ethyl 2-[(benzylcarbamothioyl)amino]-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
Compound characteristics
| Compound ID: | 3473-0484 |
| Compound Name: | ethyl 2-[(benzylcarbamothioyl)amino]-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate |
| Molecular Weight: | 404.55 |
| Molecular Formula: | C20 H24 N2 O3 S2 |
| Smiles: | CCOC(c1c2CC(C)(C)OCc2sc1NC(NCc1ccccc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1822 |
| logD: | 3.9813 |
| logSw: | -4.4618 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.549 |
| InChI Key: | RDXFAEGJTARASY-UHFFFAOYSA-N |