4-ethyl-7-hydroxy-8-[(thiomorpholin-4-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-ethyl-7-hydroxy-8-[(thiomorpholin-4-yl)methyl]-2H-1-benzopyran-2-one
4-ethyl-7-hydroxy-8-[(thiomorpholin-4-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y043-6018 |
| Compound Name: | 4-ethyl-7-hydroxy-8-[(thiomorpholin-4-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 305.39 |
| Molecular Formula: | C16 H19 N O3 S |
| Smiles: | CCC1=CC(=O)Oc2c1ccc(c2CN1CCSCC1)O |
| Stereo: | ACHIRAL |
| logP: | 2.6113 |
| logD: | 2.5735 |
| logSw: | -3.0754 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.611 |
| InChI Key: | WJKPOVVUHNCPTF-UHFFFAOYSA-N |