3,4-dimethoxy-N-{[6-(4-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide
Chemical Structure Depiction of
3,4-dimethoxy-N-{[6-(4-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide
3,4-dimethoxy-N-{[6-(4-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | S554-0591 |
| Compound Name: | 3,4-dimethoxy-N-{[6-(4-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide |
| Molecular Weight: | 403.44 |
| Molecular Formula: | C22 H21 N5 O3 |
| Smiles: | Cc1ccc(cc1)c1ccc2nnc(CNC(c3ccc(c(c3)OC)OC)=O)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 2.6788 |
| logD: | 2.6788 |
| logSw: | -3.0057 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.047 |
| InChI Key: | JTBKXNLEJBNAQZ-UHFFFAOYSA-N |