1-[4-(4-fluorophenyl)piperazin-1-yl]-3-{6-[4-(3-methoxyphenyl)piperazin-1-yl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}propan-1-one
Chemical Structure Depiction of
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-{6-[4-(3-methoxyphenyl)piperazin-1-yl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}propan-1-one
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-{6-[4-(3-methoxyphenyl)piperazin-1-yl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}propan-1-one
Compound characteristics
| Compound ID: | E591-0067 |
| Compound Name: | 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-{6-[4-(3-methoxyphenyl)piperazin-1-yl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}propan-1-one |
| Molecular Weight: | 544.63 |
| Molecular Formula: | C29 H33 F N8 O2 |
| Smiles: | COc1cccc(c1)N1CCN(CC1)c1ccc2nnc(CCC(N3CCN(CC3)c3ccc(cc3)F)=O)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 3.2605 |
| logD: | 3.2604 |
| logSw: | -3.39 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 66.746 |
| InChI Key: | XGTWUDDNOPXXTH-UHFFFAOYSA-N |