ethyl 5,5-dimethyl-2-{[(prop-2-en-1-yl)carbamothioyl]amino}-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
Chemical Structure Depiction of
ethyl 5,5-dimethyl-2-{[(prop-2-en-1-yl)carbamothioyl]amino}-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
ethyl 5,5-dimethyl-2-{[(prop-2-en-1-yl)carbamothioyl]amino}-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
Compound characteristics
| Compound ID: | 4464-0129 |
| Compound Name: | ethyl 5,5-dimethyl-2-{[(prop-2-en-1-yl)carbamothioyl]amino}-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate |
| Molecular Weight: | 354.49 |
| Molecular Formula: | C16 H22 N2 O3 S2 |
| Smiles: | CCOC(c1c2CC(C)(C)OCc2sc1NC(NCC=C)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3034 |
| logD: | 2.9548 |
| logSw: | -3.4994 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.662 |
| InChI Key: | QGEGAJSHVFBSDX-UHFFFAOYSA-N |