N-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-2-{3-oxo-6-[(propan-2-yl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
N-(3,4-dimethoxyphenyl)-2-{3-oxo-6-[(propan-2-yl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | F804-0935 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-2-{3-oxo-6-[(propan-2-yl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide |
| Molecular Weight: | 403.46 |
| Molecular Formula: | C18 H21 N5 O4 S |
| Smiles: | CC(C)SC1C=CC2=NN(CC(Nc3ccc(c(c3)OC)OC)=O)C(N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.607 |
| logD: | 2.607 |
| logSw: | -3.1409 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.858 |
| InChI Key: | GXAZTFIONMAGMF-UHFFFAOYSA-N |