3-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-[(pyridin-3-yl)methyl]benzamide
Chemical Structure Depiction of
3-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-[(pyridin-3-yl)methyl]benzamide
3-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-[(pyridin-3-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V008-8466 |
| Compound Name: | 3-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-[(pyridin-3-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)SCc1cccc(c1)C(NCc1cccnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7819 |
| logD: | 5.7802 |
| logSw: | -5.3498 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.414 |
| InChI Key: | VHBJJXPATLSVGY-UHFFFAOYSA-N |