4-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-[(pyridin-4-yl)methyl]benzamide
Chemical Structure Depiction of
4-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-[(pyridin-4-yl)methyl]benzamide
4-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-[(pyridin-4-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V003-5720 |
| Compound Name: | 4-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-[(pyridin-4-yl)methyl]benzamide |
| Molecular Weight: | 592.69 |
| Molecular Formula: | C31 H31 F3 N6 O S |
| Salt: | not_available |
| Smiles: | Cc1c(C)nc(nc1N1CCN(CC1)c1cccc(c1)C(F)(F)F)SCc1ccc(cc1)C(NCc1ccncc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3611 |
| logD: | 5.3578 |
| logSw: | -5.3674 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.324 |
| InChI Key: | WYPDYDCVJWWEKW-UHFFFAOYSA-N |