(3-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}phenyl)(4-methylpiperazin-1-yl)methanone
Chemical Structure Depiction of
(3-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}phenyl)(4-methylpiperazin-1-yl)methanone
(3-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}phenyl)(4-methylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V027-5672 |
| Compound Name: | (3-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}phenyl)(4-methylpiperazin-1-yl)methanone |
| Molecular Weight: | 584.71 |
| Molecular Formula: | C30 H35 F3 N6 O S |
| Salt: | not_available |
| Smiles: | Cc1c(C)nc(nc1N1CCN(CC1)c1cccc(c1)C(F)(F)F)SCc1cccc(c1)C(N1CCN(C)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1588 |
| logD: | 5.0281 |
| logSw: | -5.1887 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.608 |
| InChI Key: | XXDCOYLFZJZRQF-UHFFFAOYSA-N |