methyl 1-(6-bromo-4-oxo-4H-1-benzothiopyran-3-yl)piperidine-4-carboxylate
Chemical Structure Depiction of
methyl 1-(6-bromo-4-oxo-4H-1-benzothiopyran-3-yl)piperidine-4-carboxylate
methyl 1-(6-bromo-4-oxo-4H-1-benzothiopyran-3-yl)piperidine-4-carboxylate
Compound characteristics
| Compound ID: | G617-0296 |
| Compound Name: | methyl 1-(6-bromo-4-oxo-4H-1-benzothiopyran-3-yl)piperidine-4-carboxylate |
| Molecular Weight: | 382.27 |
| Molecular Formula: | C16 H16 Br N O3 S |
| Smiles: | COC(C1CCN(CC1)C1=CSc2ccc(cc2C1=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6828 |
| logD: | 3.678 |
| logSw: | -3.9134 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 37.659 |
| InChI Key: | MCAIOUBVWXLMSI-UHFFFAOYSA-N |