ethyl 4-(2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamido)benzoate
ethyl 4-(2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | F804-1134 |
| Compound Name: | ethyl 4-(2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamido)benzoate |
| Molecular Weight: | 467.48 |
| Molecular Formula: | C22 H18 F N5 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CN1C(N2C(C=CC(=N2)Sc2cccc(c2)F)=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.387 |
| logD: | 4.387 |
| logSw: | -4.2613 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.079 |
| InChI Key: | KAGJCJIVKUXDSM-UHFFFAOYSA-N |