4-cyano-N-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide
Chemical Structure Depiction of
4-cyano-N-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide
4-cyano-N-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | S554-0446 |
| Compound Name: | 4-cyano-N-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide |
| Molecular Weight: | 372.36 |
| Molecular Formula: | C20 H13 F N6 O |
| Smiles: | C(c1nnc2ccc(c3ccc(cc3)F)nn12)NC(c1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3147 |
| logD: | 2.3146 |
| logSw: | -2.691 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.843 |
| InChI Key: | VEKSKTRRGUXQCW-UHFFFAOYSA-N |