1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-{[3-(propan-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-{[3-(propan-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}ethan-1-one
1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-{[3-(propan-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | Y043-6051 |
| Compound Name: | 1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-{[3-(propan-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 445.97 |
| Molecular Formula: | C21 H24 Cl N5 O2 S |
| Smiles: | CC(C)c1nnc2ccc(nn12)SCC(N1CCC(CC1)(c1ccc(cc1)[Cl])O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7077 |
| logD: | 2.7077 |
| logSw: | -3.3311 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.985 |
| InChI Key: | ALFVPOBMPUTKNB-UHFFFAOYSA-N |