1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[6-(2-methoxyphenyl)[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-(2-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}ethan-1-one
1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[6-(2-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | G856-6465 |
| Compound Name: | 1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[6-(2-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 431.52 |
| Molecular Formula: | C23 H21 N5 O2 S |
| Smiles: | COc1ccccc1c1ccc2nnc(n2n1)SCC(N1CCCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5929 |
| logD: | 3.5929 |
| logSw: | -3.7482 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.395 |
| InChI Key: | NTYXTVCBSYCMJI-UHFFFAOYSA-N |