ethyl 4-({4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carbothioyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carbothioyl}amino)benzoate
ethyl 4-({4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carbothioyl}amino)benzoate
Compound characteristics
| Compound ID: | C713-0229 |
| Compound Name: | ethyl 4-({4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carbothioyl}amino)benzoate |
| Molecular Weight: | 505.57 |
| Molecular Formula: | C25 H24 F N7 O2 S |
| Smiles: | CCOC(c1ccc(cc1)NC(N1CCN(CC1)c1ccc2nnc(c3ccc(cc3)F)n2n1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9157 |
| logD: | 4.9157 |
| logSw: | -4.4913 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.773 |
| InChI Key: | GKACQGMWPCTCHI-UHFFFAOYSA-N |