8-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-2,3-dihydro-4H-1-benzothiopyran-4-one
Chemical Structure Depiction of
8-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-2,3-dihydro-4H-1-benzothiopyran-4-one
8-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-2,3-dihydro-4H-1-benzothiopyran-4-one
Compound characteristics
| Compound ID: | G777-0141 |
| Compound Name: | 8-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-2,3-dihydro-4H-1-benzothiopyran-4-one |
| Molecular Weight: | 420.45 |
| Molecular Formula: | C21 H19 F3 N2 O2 S |
| Smiles: | C1CSc2c(cccc2C(N2CCN(CC2)c2cccc(c2)C(F)(F)F)=O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.6893 |
| logD: | 3.6893 |
| logSw: | -4.1995 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.315 |
| InChI Key: | JLRHXWCHGZMCII-UHFFFAOYSA-N |