6-fluoro-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-4H-1-benzothiopyran-4-one
Chemical Structure Depiction of
6-fluoro-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-4H-1-benzothiopyran-4-one
6-fluoro-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-4H-1-benzothiopyran-4-one
Compound characteristics
| Compound ID: | G617-0234 |
| Compound Name: | 6-fluoro-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-4H-1-benzothiopyran-4-one |
| Molecular Weight: | 408.42 |
| Molecular Formula: | C20 H16 F4 N2 O S |
| Smiles: | C1CN(CCN1C1=CSc2ccc(cc2C1=O)F)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.1229 |
| logD: | 5.1229 |
| logSw: | -5.3572 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 19.7451 |
| InChI Key: | SMCTYYVDMIUJKA-UHFFFAOYSA-N |