1-[4-(adamantan-1-yl)piperazin-1-yl]-2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-[4-(adamantan-1-yl)piperazin-1-yl]-2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
1-[4-(adamantan-1-yl)piperazin-1-yl]-2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8013-4054 |
| Compound Name: | 1-[4-(adamantan-1-yl)piperazin-1-yl]-2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 534.62 |
| Molecular Formula: | C27 H30 F4 N4 O S |
| Smiles: | C1C2CC3CC1CC(C2)(C3)N1CCN(CC1)C(CSc1nc(cc(C(F)(F)F)n1)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4929 |
| logD: | 6.467 |
| logSw: | -6.2117 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 36.333 |
| InChI Key: | OXFNGVCONGIWPX-UHFFFAOYSA-N |