2-{6-[(4-methylphenyl)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-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | F804-0556 |
| Compound Name: | 2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 459.45 |
| Molecular Formula: | C21 H16 F3 N5 O2 S |
| Smiles: | Cc1ccc(cc1)SC1C=CC2=NN(CC(Nc3cccc(c3)C(F)(F)F)=O)C(N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3334 |
| logD: | 5.3333 |
| logSw: | -5.4531 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.326 |
| InChI Key: | NNJAAAOYXOSWHJ-UHFFFAOYSA-N |