2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
Chemical Structure Depiction of
2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | F804-0175 |
| Compound Name: | 2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one |
| Molecular Weight: | 464.52 |
| Molecular Formula: | C23 H21 F N6 O2 S |
| Smiles: | C1CN(CCN1C(CN1C(N2C(C=CC(=N2)Sc2ccccc2)=N1)=O)=O)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 3.4173 |
| logD: | 3.4173 |
| logSw: | -3.659 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.829 |
| InChI Key: | CGDYPVFFAOWSCL-UHFFFAOYSA-N |