N-[2-(6-{[(3-fluorophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-[2-(6-{[(3-fluorophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-4-methylbenzene-1-sulfonamide
N-[2-(6-{[(3-fluorophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | E551-0198 |
| Compound Name: | N-[2-(6-{[(3-fluorophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C21 H20 F N5 O2 S2 |
| Smiles: | Cc1ccc(cc1)S(NCCc1nnc2ccc(nn12)SCc1cccc(c1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7422 |
| logD: | 3.7418 |
| logSw: | -3.8575 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.334 |
| InChI Key: | XBIPSJCBQJXOEI-UHFFFAOYSA-N |