3-acetamido-N-{[6-(4-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide
Chemical Structure Depiction of
3-acetamido-N-{[6-(4-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide
3-acetamido-N-{[6-(4-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | S554-0677 |
| Compound Name: | 3-acetamido-N-{[6-(4-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide |
| Molecular Weight: | 416.44 |
| Molecular Formula: | C22 H20 N6 O3 |
| Smiles: | CC(Nc1cccc(c1)C(NCc1nnc2ccc(c3ccc(cc3)OC)nn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1156 |
| logD: | 2.1156 |
| logSw: | -2.9392 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.592 |
| InChI Key: | IUDYNHBHFUHXAW-UHFFFAOYSA-N |