N-benzyl-4-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzamide
Chemical Structure Depiction of
N-benzyl-4-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzamide
N-benzyl-4-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzamide
Compound characteristics
| Compound ID: | V028-0630 |
| Compound Name: | N-benzyl-4-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzamide |
| Molecular Weight: | 591.7 |
| Molecular Formula: | C32 H32 F3 N5 O S |
| Salt: | not_available |
| Smiles: | Cc1c(C)nc(nc1N1CCN(CC1)c1cccc(c1)C(F)(F)F)SCc1ccc(cc1)C(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7177 |
| logD: | 6.716 |
| logSw: | -5.8354 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.896 |
| InChI Key: | QQUDSLXMNFROKH-UHFFFAOYSA-N |