2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-[(4-methylphenyl)sulfanyl][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-[(4-methylphenyl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-[(4-methylphenyl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | F804-0575 |
| Compound Name: | 2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-[(4-methylphenyl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one |
| Molecular Weight: | 478.55 |
| Molecular Formula: | C24 H23 F N6 O2 S |
| Smiles: | Cc1ccc(cc1)SC1C=CC2=NN(CC(N3CCN(CC3)c3ccc(cc3)F)=O)C(N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0258 |
| logD: | 4.0257 |
| logSw: | -3.987 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.829 |
| InChI Key: | BZFLHBDGIZKRGT-UHFFFAOYSA-N |