4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-(2-nitrophenyl)piperazine-1-carboxamide
Chemical Structure Depiction of
4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-(2-nitrophenyl)piperazine-1-carboxamide
4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-(2-nitrophenyl)piperazine-1-carboxamide
Compound characteristics
| Compound ID: | C713-0264 |
| Compound Name: | 4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-(2-nitrophenyl)piperazine-1-carboxamide |
| Molecular Weight: | 462.44 |
| Molecular Formula: | C22 H19 F N8 O3 |
| Smiles: | C1CN(CCN1C(Nc1ccccc1[N+]([O-])=O)=O)c1ccc2nnc(c3ccc(cc3)F)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 3.6929 |
| logD: | 3.6922 |
| logSw: | -4.0962 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.973 |
| InChI Key: | PHHWSPIFYCMBIQ-UHFFFAOYSA-N |