1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[6-(thiophen-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-(thiophen-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-(thiophen-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | G856-6561 |
| Compound Name: | 1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[6-(thiophen-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 407.51 |
| Molecular Formula: | C20 H17 N5 O S2 |
| Smiles: | C1Cc2ccccc2N(C1)C(CSc1nnc2ccc(c3cccs3)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7017 |
| logD: | 3.7017 |
| logSw: | -3.9128 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.783 |
| InChI Key: | BTZMBSLRLCWQDM-UHFFFAOYSA-N |