1-[4-(adamantan-1-yl)piperazin-1-yl]-2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-[4-(adamantan-1-yl)piperazin-1-yl]-2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
1-[4-(adamantan-1-yl)piperazin-1-yl]-2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8014-9672 |
| Compound Name: | 1-[4-(adamantan-1-yl)piperazin-1-yl]-2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 546.66 |
| Molecular Formula: | C28 H33 F3 N4 O2 S |
| Smiles: | COc1ccc(cc1)c1cc(C(F)(F)F)nc(n1)SCC(N1CCN(CC1)C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4462 |
| logD: | 6.4203 |
| logSw: | -5.6789 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 43.877 |
| InChI Key: | GCMDUCWTYQHROX-UHFFFAOYSA-N |