1-[4-(4-{[(4-phenyl-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-phenyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperazin-1-yl]ethan-1-one
1-[4-(4-{[(4-phenyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | V001-7647 |
| Compound Name: | 1-[4-(4-{[(4-phenyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 660.76 |
| Molecular Formula: | C35 H35 F3 N6 O2 S |
| Salt: | not_available |
| Smiles: | CC(N1CCN(CC1)C(c1ccc(CSc2nc(cc(n2)N2CCN(CC2)c2cccc(c2)C(F)(F)F)c2ccccc2)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2732 |
| logD: | 6.2729 |
| logSw: | -5.7194 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.009 |
| InChI Key: | GKIDEPDSRVNDNB-UHFFFAOYSA-N |