N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[6-(3-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[6-(3-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[6-(3-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-6490 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[6-(3-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 449.49 |
| Molecular Formula: | C22 H19 N5 O4 S |
| Smiles: | COc1cccc(c1)c1ccc2nnc(n2n1)SCC(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5001 |
| logD: | 2.5001 |
| logSw: | -2.9766 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.224 |
| InChI Key: | LRUUMJPXHCULCO-UHFFFAOYSA-N |