N-(3-chloro-4-fluorophenyl)-4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carbothioamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carbothioamide
N-(3-chloro-4-fluorophenyl)-4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | C713-0222 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carbothioamide |
| Molecular Weight: | 485.94 |
| Molecular Formula: | C22 H18 Cl F2 N7 S |
| Smiles: | C1CN(CCN1C(Nc1ccc(c(c1)[Cl])F)=S)c1ccc2nnc(c3ccc(cc3)F)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 5.0445 |
| logD: | 5.0444 |
| logSw: | -5.5323 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.019 |
| InChI Key: | IFPXGZQARSWDAM-UHFFFAOYSA-N |