ethyl 1-(6-chloro-4-oxo-4H-1-benzothiopyran-3-yl)piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(6-chloro-4-oxo-4H-1-benzothiopyran-3-yl)piperidine-4-carboxylate
ethyl 1-(6-chloro-4-oxo-4H-1-benzothiopyran-3-yl)piperidine-4-carboxylate
Compound characteristics
| Compound ID: | G617-0118 |
| Compound Name: | ethyl 1-(6-chloro-4-oxo-4H-1-benzothiopyran-3-yl)piperidine-4-carboxylate |
| Molecular Weight: | 351.85 |
| Molecular Formula: | C17 H18 Cl N O3 S |
| Smiles: | CCOC(C1CCN(CC1)C1=CSc2ccc(cc2C1=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0549 |
| logD: | 4.051 |
| logSw: | -4.4007 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 37.238 |
| InChI Key: | HZDHMPLYSGBSPM-UHFFFAOYSA-N |