6-bromo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-4H-1-benzothiopyran-4-one
Chemical Structure Depiction of
6-bromo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-4H-1-benzothiopyran-4-one
6-bromo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-4H-1-benzothiopyran-4-one
Compound characteristics
| Compound ID: | G617-0291 |
| Compound Name: | 6-bromo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-4H-1-benzothiopyran-4-one |
| Molecular Weight: | 469.32 |
| Molecular Formula: | C20 H16 Br F3 N2 O S |
| Smiles: | C1CN(CCN1C1=CSc2ccc(cc2C1=O)[Br])c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.7749 |
| logD: | 5.7748 |
| logSw: | -6.0317 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 19.7451 |
| InChI Key: | VYHNGZURELRDAG-UHFFFAOYSA-N |