3-{4-[(4-ethyl-7-hydroxy-2-oxo-2H-1-benzopyran-8-yl)methyl]piperazin-1-yl}-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-{4-[(4-ethyl-7-hydroxy-2-oxo-2H-1-benzopyran-8-yl)methyl]piperazin-1-yl}-1lambda~6~-thiolane-1,1-dione
3-{4-[(4-ethyl-7-hydroxy-2-oxo-2H-1-benzopyran-8-yl)methyl]piperazin-1-yl}-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | Y043-3548 |
| Compound Name: | 3-{4-[(4-ethyl-7-hydroxy-2-oxo-2H-1-benzopyran-8-yl)methyl]piperazin-1-yl}-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 406.5 |
| Molecular Formula: | C20 H26 N2 O5 S |
| Smiles: | CCC1=CC(=O)Oc2c1ccc(c2CN1CCN(CC1)C1CCS(C1)(=O)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9231 |
| logD: | 0.9113 |
| logSw: | -2.4073 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.141 |
| InChI Key: | LOYXUKIVSCXBOA-OAHLLOKOSA-N |