1-[4-(4-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
1-[4-(4-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperazin-1-yl]ethan-1-one
1-[4-(4-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | V028-0559 |
| Compound Name: | 1-[4-(4-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 612.72 |
| Molecular Formula: | C31 H35 F3 N6 O2 S |
| Salt: | not_available |
| Smiles: | CC(N1CCN(CC1)C(c1ccc(CSc2nc(C)c(C)c(n2)N2CCN(CC2)c2cccc(c2)C(F)(F)F)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.775 |
| logD: | 4.7733 |
| logSw: | -4.6349 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.327 |
| InChI Key: | JVPOCABSCVXMCB-UHFFFAOYSA-N |