4-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-(2-methylpropyl)benzamide
Chemical Structure Depiction of
4-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-(2-methylpropyl)benzamide
4-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-(2-methylpropyl)benzamide
Compound characteristics
| Compound ID: | V028-0618 |
| Compound Name: | 4-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-(2-methylpropyl)benzamide |
| Molecular Weight: | 557.68 |
| Molecular Formula: | C29 H34 F3 N5 O S |
| Salt: | not_available |
| Smiles: | CC(C)CNC(c1ccc(CSc2nc(C)c(C)c(n2)N2CCN(CC2)c2cccc(c2)C(F)(F)F)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.303 |
| logD: | 6.3013 |
| logSw: | -5.6479 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.168 |
| InChI Key: | VCBSXYHIGWUNRW-UHFFFAOYSA-N |