N-[3-(methylsulfanyl)phenyl]-2-{[3-(propan-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-2-{[3-(propan-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetamide
N-[3-(methylsulfanyl)phenyl]-2-{[3-(propan-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y043-6050 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-2-{[3-(propan-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 373.5 |
| Molecular Formula: | C17 H19 N5 O S2 |
| Smiles: | CC(C)c1nnc2ccc(nn12)SCC(Nc1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1214 |
| logD: | 3.1214 |
| logSw: | -3.3726 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.907 |
| InChI Key: | RREKKQRPJMLBQI-UHFFFAOYSA-N |