ethyl 2-[(benzylcarbamothioyl)amino]-5-(propan-2-yl)-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(benzylcarbamothioyl)amino]-5-(propan-2-yl)-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
ethyl 2-[(benzylcarbamothioyl)amino]-5-(propan-2-yl)-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
Compound characteristics
| Compound ID: | 5627-0009 |
| Compound Name: | ethyl 2-[(benzylcarbamothioyl)amino]-5-(propan-2-yl)-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate |
| Molecular Weight: | 418.58 |
| Molecular Formula: | C21 H26 N2 O3 S2 |
| Smiles: | CCOC(c1c2CC(C(C)C)OCc2sc1NC(NCc1ccccc1)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6561 |
| logD: | 4.4551 |
| logSw: | -4.5397 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.204 |
| InChI Key: | JVQGRIZIAZTRPP-MRXNPFEDSA-N |