{2-[(4-methylphenyl)sulfanyl]pyridin-3-yl}(4-{4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl}piperazin-1-yl)methanone
Chemical Structure Depiction of
{2-[(4-methylphenyl)sulfanyl]pyridin-3-yl}(4-{4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl}piperazin-1-yl)methanone
{2-[(4-methylphenyl)sulfanyl]pyridin-3-yl}(4-{4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl}piperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V006-0409 |
| Compound Name: | {2-[(4-methylphenyl)sulfanyl]pyridin-3-yl}(4-{4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl}piperazin-1-yl)methanone |
| Molecular Weight: | 535.59 |
| Molecular Formula: | C28 H24 F3 N5 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)Sc1c(cccn1)C(N1CCN(CC1)c1nccc(c2cccc(c2)C(F)(F)F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1973 |
| logD: | 6.1972 |
| logSw: | -5.6851 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.714 |
| InChI Key: | XIMRASCKVOPQND-UHFFFAOYSA-N |