2-{[6-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[6-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one
2-{[6-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | G856-6508 |
| Compound Name: | 2-{[6-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one |
| Molecular Weight: | 474.54 |
| Molecular Formula: | C24 H22 N6 O3 S |
| Smiles: | C1CN(CCN1C(CSc1nnc2ccc(c3ccc4c(c3)OCO4)nn12)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2859 |
| logD: | 3.2859 |
| logSw: | -3.4832 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.476 |
| InChI Key: | DYDBBKJNFKHUFM-UHFFFAOYSA-N |