4-{[3-(ethoxycarbonyl)-5-(propan-2-yl)-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]amino}-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-{[3-(ethoxycarbonyl)-5-(propan-2-yl)-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]amino}-4-oxobut-2-enoic acid
4-{[3-(ethoxycarbonyl)-5-(propan-2-yl)-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]amino}-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | 5627-0086 |
| Compound Name: | 4-{[3-(ethoxycarbonyl)-5-(propan-2-yl)-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]amino}-4-oxobut-2-enoic acid |
| Molecular Weight: | 367.42 |
| Molecular Formula: | C17 H21 N O6 S |
| Smiles: | CCOC(c1c2CC(C(C)C)OCc2sc1NC(/C=C/C(O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0773 |
| logD: | -1.381 |
| logSw: | -3.2077 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.592 |
| InChI Key: | OSCOUEYRVLSPSU-QRGHLMKCSA-N |