N-{[6-(4-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2-[(pyridin-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-{[6-(4-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2-[(pyridin-4-yl)sulfanyl]acetamide
N-{[6-(4-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2-[(pyridin-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | S554-0510 |
| Compound Name: | N-{[6-(4-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2-[(pyridin-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 390.47 |
| Molecular Formula: | C20 H18 N6 O S |
| Smiles: | Cc1ccc(cc1)c1ccc2nnc(CNC(CSc3ccncc3)=O)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 2.0358 |
| logD: | 1.9842 |
| logSw: | -2.2379 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.001 |
| InChI Key: | CJODZFWGHOYNIG-UHFFFAOYSA-N |