N-benzyl-4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carbothioamide
Chemical Structure Depiction of
N-benzyl-4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carbothioamide
N-benzyl-4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | C713-0231 |
| Compound Name: | N-benzyl-4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carbothioamide |
| Molecular Weight: | 447.54 |
| Molecular Formula: | C23 H22 F N7 S |
| Smiles: | C(c1ccccc1)NC(N1CCN(CC1)c1ccc2nnc(c3ccc(cc3)F)n2n1)=S |
| Stereo: | ACHIRAL |
| logP: | 3.881 |
| logD: | 3.8809 |
| logSw: | -4.1704 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.341 |
| InChI Key: | ZBZGJVWKARKKJI-UHFFFAOYSA-N |