4-cyano-N-{[6-(4-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide
Chemical Structure Depiction of
4-cyano-N-{[6-(4-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide
4-cyano-N-{[6-(4-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | S554-0774 |
| Compound Name: | 4-cyano-N-{[6-(4-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide |
| Molecular Weight: | 384.4 |
| Molecular Formula: | C21 H16 N6 O2 |
| Smiles: | COc1ccc(cc1)c1ccc2nnc(CNC(c3ccc(C#N)cc3)=O)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 2.268 |
| logD: | 2.2679 |
| logSw: | -2.6 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.387 |
| InChI Key: | DQDBBFXRFIEWPD-UHFFFAOYSA-N |