4-{[(4-ethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-(2-methylpropyl)benzamide
Chemical Structure Depiction of
4-{[(4-ethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-(2-methylpropyl)benzamide
4-{[(4-ethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-(2-methylpropyl)benzamide
Compound characteristics
| Compound ID: | V027-2414 |
| Compound Name: | 4-{[(4-ethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-(2-methylpropyl)benzamide |
| Molecular Weight: | 557.68 |
| Molecular Formula: | C29 H34 F3 N5 O S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1ccc(cc1)C(NCC(C)C)=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 6.6537 |
| logD: | 6.6534 |
| logSw: | -5.7072 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.617 |
| InChI Key: | XATBZOVFWBENTR-UHFFFAOYSA-N |