2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | F804-1173 |
| Compound Name: | 2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 463.41 |
| Molecular Formula: | C20 H13 F4 N5 O2 S |
| Smiles: | C(C(Nc1cccc(c1)C(F)(F)F)=O)N1C(N2C(C=CC(=N2)Sc2cccc(c2)F)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8289 |
| logD: | 4.8287 |
| logSw: | -4.8026 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.326 |
| InChI Key: | XPGIDCAFGRHMTL-UHFFFAOYSA-N |