3-{4-[(7-hydroxy-3,4-dimethyl-2-oxo-2H-1-benzopyran-8-yl)methyl]piperazin-1-yl}-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-{4-[(7-hydroxy-3,4-dimethyl-2-oxo-2H-1-benzopyran-8-yl)methyl]piperazin-1-yl}-1lambda~6~-thiolane-1,1-dione
3-{4-[(7-hydroxy-3,4-dimethyl-2-oxo-2H-1-benzopyran-8-yl)methyl]piperazin-1-yl}-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | Y043-3545 |
| Compound Name: | 3-{4-[(7-hydroxy-3,4-dimethyl-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: | CC1=C(C)c2ccc(c(CN3CCN(CC3)C3CCS(C3)(=O)=O)c2OC1=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0322 |
| logD: | 1.0204 |
| logSw: | -2.3636 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.656 |
| InChI Key: | CZJMABSBEOTCNW-OAHLLOKOSA-N |