2-[(3-ethyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-[(3-ethyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
2-[(3-ethyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | IB09-4747 |
| Compound Name: | 2-[(3-ethyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide |
| Molecular Weight: | 403.46 |
| Molecular Formula: | C18 H21 N5 O4 S |
| Smiles: | CCc1nnc2ccc(nn12)SCC(Nc1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.47 |
| logD: | 1.47 |
| logSw: | -2.28 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 175.36 |
| InChI Key: | NBLATFNEMHCRKV-UHFFFAOYSA-N |