1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[6-(pyridin-2-yl)[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-(pyridin-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}ethan-1-one
1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[6-(pyridin-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | G856-6586 |
| Compound Name: | 1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[6-(pyridin-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 402.48 |
| Molecular Formula: | C21 H18 N6 O S |
| Smiles: | C1Cc2ccccc2N(C1)C(CSc1nnc2ccc(c3ccccn3)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7865 |
| logD: | 2.7846 |
| logSw: | -3.1031 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.812 |
| InChI Key: | KBTGVSLUYNHTOU-UHFFFAOYSA-N |