N-[2-(6-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-[2-(6-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-4-methylbenzene-1-sulfonamide
N-[2-(6-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | E551-0130 |
| Compound Name: | N-[2-(6-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 522.65 |
| Molecular Formula: | C25 H26 N6 O3 S2 |
| Smiles: | Cc1ccc(cc1)S(NCCc1nnc2ccc(nn12)SCC(N1CCCc2ccccc12)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.452 |
| logD: | 3.4516 |
| logSw: | -3.8626 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.391 |
| InChI Key: | LHXLDQAYLHSZNV-UHFFFAOYSA-N |