ethyl N-{4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carbothioyl}glycinate
Chemical Structure Depiction of
ethyl N-{4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carbothioyl}glycinate
ethyl N-{4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carbothioyl}glycinate
Compound characteristics
| Compound ID: | C713-0225 |
| Compound Name: | ethyl N-{4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carbothioyl}glycinate |
| Molecular Weight: | 443.5 |
| Molecular Formula: | C20 H22 F N7 O2 S |
| Smiles: | CCOC(CNC(N1CCN(CC1)c1ccc2nnc(c3ccc(cc3)F)n2n1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7023 |
| logD: | 2.7023 |
| logSw: | -2.9469 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.772 |
| InChI Key: | VXQKLKJFVYBQPB-UHFFFAOYSA-N |