1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[6-(4-methylphenyl)[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-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}ethan-1-one
1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[6-(4-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | G856-6460 |
| Compound Name: | 1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[6-(4-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 415.52 |
| Molecular Formula: | C23 H21 N5 O S |
| Smiles: | Cc1ccc(cc1)c1ccc2nnc(n2n1)SCC(N1CCCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4464 |
| logD: | 4.4464 |
| logSw: | -4.2673 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.764 |
| InChI Key: | NTFWZQODRCEOLA-UHFFFAOYSA-N |