1-[4-(adamantan-1-yl)piperazin-1-yl]-2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-[4-(adamantan-1-yl)piperazin-1-yl]-2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
1-[4-(adamantan-1-yl)piperazin-1-yl]-2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8014-9673 |
| Compound Name: | 1-[4-(adamantan-1-yl)piperazin-1-yl]-2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 506.59 |
| Molecular Formula: | C25 H29 F3 N4 O2 S |
| Smiles: | C1C2CC3CC1CC(C2)(C3)N1CCN(CC1)C(CSc1nc(cc(C(F)(F)F)n1)c1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.37 |
| logD: | 5.3442 |
| logSw: | -5.7884 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 44.911 |
| InChI Key: | YNCQVEWSZCJPCW-UHFFFAOYSA-N |