N-(3-chloro-4-methoxyphenyl)-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-methoxyphenyl)-4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carbothioamide
N-(3-chloro-4-methoxyphenyl)-4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | C713-0234 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carbothioamide |
| Molecular Weight: | 497.98 |
| Molecular Formula: | C23 H21 Cl F N7 O S |
| Smiles: | COc1ccc(cc1[Cl])NC(N1CCN(CC1)c1ccc2nnc(c3ccc(cc3)F)n2n1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.8249 |
| logD: | 4.8249 |
| logSw: | -5.0498 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.65 |
| InChI Key: | XFNZIZUYGAHDFV-UHFFFAOYSA-N |