N-(3-methoxyphenyl)-2-{[3-(propan-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-methoxyphenyl)-2-{[3-(propan-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetamide
N-(3-methoxyphenyl)-2-{[3-(propan-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | IB07-6965 |
| Compound Name: | N-(3-methoxyphenyl)-2-{[3-(propan-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 357.43 |
| Molecular Formula: | C17 H19 N5 O2 S |
| Smiles: | CC(C)c1nnc2ccc(nn12)SCC(Nc1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.73 |
| logD: | 2.73 |
| logSw: | -3.34 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 145.94 |
| InChI Key: | XNISMJIZFWJTJL-UHFFFAOYSA-N |