(4-methylpiperazin-1-yl)(4-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}phenyl)methanone
Chemical Structure Depiction of
(4-methylpiperazin-1-yl)(4-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}phenyl)methanone
(4-methylpiperazin-1-yl)(4-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}phenyl)methanone
Compound characteristics
| Compound ID: | V024-9946 |
| Compound Name: | (4-methylpiperazin-1-yl)(4-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}phenyl)methanone |
| Molecular Weight: | 570.68 |
| Molecular Formula: | C29 H33 F3 N6 O S |
| Salt: | not_available |
| Smiles: | Cc1cc(nc(n1)SCc1ccc(cc1)C(N1CCN(C)CC1)=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.704 |
| logD: | 4.5733 |
| logSw: | -4.5168 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.368 |
| InChI Key: | NNXRSDYUTNWJGF-UHFFFAOYSA-N |