4-methoxy-N-[2-(6-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzene-1-sulfonamide
Chemical Structure Depiction of
4-methoxy-N-[2-(6-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzene-1-sulfonamide
4-methoxy-N-[2-(6-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | E551-0242 |
| Compound Name: | 4-methoxy-N-[2-(6-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzene-1-sulfonamide |
| Molecular Weight: | 476.58 |
| Molecular Formula: | C20 H24 N6 O4 S2 |
| Smiles: | COc1ccc(cc1)S(NCCc1nnc2ccc(nn12)SCC(N1CCCC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6209 |
| logD: | 1.6207 |
| logSw: | -2.5579 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.636 |
| InChI Key: | QMALJVKUUZERKA-UHFFFAOYSA-N |