1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}ethan-1-one
1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | G856-6485 |
| Compound Name: | 1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 419.48 |
| Molecular Formula: | C22 H18 F N5 O S |
| Smiles: | C1Cc2ccccc2N(C1)C(CSc1nnc2ccc(c3ccc(cc3)F)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0521 |
| logD: | 4.0521 |
| logSw: | -4.2131 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.764 |
| InChI Key: | DZHGSTHRDHAIRL-UHFFFAOYSA-N |