3-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-[(pyridin-2-yl)methyl]benzamide
Chemical Structure Depiction of
3-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-[(pyridin-2-yl)methyl]benzamide
3-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-[(pyridin-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V024-9760 |
| Compound Name: | 3-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-[(pyridin-2-yl)methyl]benzamide |
| Molecular Weight: | 578.66 |
| Molecular Formula: | C30 H29 F3 N6 O S |
| Salt: | not_available |
| Smiles: | Cc1cc(nc(n1)SCc1cccc(c1)C(NCc1ccccn1)=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.8529 |
| logD: | 5.8524 |
| logSw: | -5.634 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.199 |
| InChI Key: | FAJJHMJOLRLCDQ-UHFFFAOYSA-N |