6-methyl-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-4H-1-benzothiopyran-4-one
Chemical Structure Depiction of
6-methyl-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-4H-1-benzothiopyran-4-one
6-methyl-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-4H-1-benzothiopyran-4-one
Compound characteristics
| Compound ID: | G617-0026 |
| Compound Name: | 6-methyl-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-4H-1-benzothiopyran-4-one |
| Molecular Weight: | 404.45 |
| Molecular Formula: | C21 H19 F3 N2 O S |
| Smiles: | Cc1ccc2c(c1)C(C(=CS2)N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.304 |
| logD: | 5.3039 |
| logSw: | -5.4128 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 19.7451 |
| InChI Key: | BNNIMDMQJVFIIT-UHFFFAOYSA-N |