3-(4-benzylpiperidin-1-yl)-6-bromo-4H-1-benzothiopyran-4-one
Chemical Structure Depiction of
3-(4-benzylpiperidin-1-yl)-6-bromo-4H-1-benzothiopyran-4-one
3-(4-benzylpiperidin-1-yl)-6-bromo-4H-1-benzothiopyran-4-one
Compound characteristics
| Compound ID: | G617-0295 |
| Compound Name: | 3-(4-benzylpiperidin-1-yl)-6-bromo-4H-1-benzothiopyran-4-one |
| Molecular Weight: | 414.36 |
| Molecular Formula: | C21 H20 Br N O S |
| Smiles: | C1CN(CCC1Cc1ccccc1)C1=CSc2ccc(cc2C1=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.3097 |
| logD: | 6.304 |
| logSw: | -6.0723 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 16.2133 |
| InChI Key: | QPSSZBHCCYINJU-UHFFFAOYSA-N |