N-(2-chloro-4-methylphenyl)-4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carbothioamide
Chemical Structure Depiction of
N-(2-chloro-4-methylphenyl)-4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carbothioamide
N-(2-chloro-4-methylphenyl)-4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | C713-0224 |
| Compound Name: | N-(2-chloro-4-methylphenyl)-4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carbothioamide |
| Molecular Weight: | 481.98 |
| Molecular Formula: | C23 H21 Cl F N7 S |
| Smiles: | Cc1ccc(c(c1)[Cl])NC(N1CCN(CC1)c1ccc2nnc(c3ccc(cc3)F)n2n1)=S |
| Stereo: | ACHIRAL |
| logP: | 5.3818 |
| logD: | 5.3818 |
| logSw: | -6.1018 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.321 |
| InChI Key: | NGSHICPVQRHCBN-UHFFFAOYSA-N |