4-{[(4-phenyl-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-phenyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-[(pyridin-4-yl)methyl]benzamide
4-{[(4-phenyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-[(pyridin-4-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V025-9608 |
| Compound Name: | 4-{[(4-phenyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-[(pyridin-4-yl)methyl]benzamide |
| Molecular Weight: | 640.73 |
| Molecular Formula: | C35 H31 F3 N6 O S |
| Salt: | not_available |
| Smiles: | C(c1ccncc1)NC(c1ccc(CSc2nc(cc(n2)N2CCN(CC2)c2cccc(c2)C(F)(F)F)c2ccccc2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8592 |
| logD: | 6.8559 |
| logSw: | -6.2912 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.006 |
| InChI Key: | SOKJCVFFEWHHAW-UHFFFAOYSA-N |