3-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-[(oxolan-2-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-[(oxolan-2-yl)methyl]benzamide
3-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-[(oxolan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V027-5624 |
| Compound Name: | 3-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-[(oxolan-2-yl)methyl]benzamide |
| Molecular Weight: | 585.69 |
| Molecular Formula: | C30 H34 F3 N5 O2 S |
| Salt: | not_available |
| Smiles: | Cc1c(C)nc(nc1N1CCN(CC1)c1cccc(c1)C(F)(F)F)SCc1cccc(c1)C(NCC1CCCO1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5602 |
| logD: | 5.5585 |
| logSw: | -5.4944 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.55 |
| InChI Key: | YOFFRZKIJZAICG-AREMUKBSSA-N |