N-[3-(methylsulfanyl)phenyl]-2-{3-oxo-6-[(propan-2-yl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-2-{3-oxo-6-[(propan-2-yl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
N-[3-(methylsulfanyl)phenyl]-2-{3-oxo-6-[(propan-2-yl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | F804-0941 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-2-{3-oxo-6-[(propan-2-yl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide |
| Molecular Weight: | 389.5 |
| Molecular Formula: | C17 H19 N5 O2 S2 |
| Smiles: | CC(C)SC1C=CC2=NN(CC(Nc3cccc(c3)SC)=O)C(N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.533 |
| logD: | 3.533 |
| logSw: | -3.7537 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.597 |
| InChI Key: | WZSPMYALKNFTNK-UHFFFAOYSA-N |