7-hydroxy-4-methyl-8-[(thiomorpholin-4-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-hydroxy-4-methyl-8-[(thiomorpholin-4-yl)methyl]-2H-1-benzopyran-2-one
7-hydroxy-4-methyl-8-[(thiomorpholin-4-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y043-3537 |
| Compound Name: | 7-hydroxy-4-methyl-8-[(thiomorpholin-4-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 291.37 |
| Molecular Formula: | C15 H17 N O3 S |
| Smiles: | CC1=CC(=O)Oc2c1ccc(c2CN1CCSCC1)O |
| Stereo: | ACHIRAL |
| logP: | 2.2012 |
| logD: | 2.1633 |
| logSw: | -2.9336 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.611 |
| InChI Key: | VPCUJNIUMJZAKC-UHFFFAOYSA-N |