2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}-N-[(4-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}-N-[(4-methoxyphenyl)methyl]acetamide
2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}-N-[(4-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | F804-1182 |
| Compound Name: | 2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}-N-[(4-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 439.47 |
| Molecular Formula: | C21 H18 F N5 O3 S |
| Smiles: | COc1ccc(CNC(CN2C(N3C(C=CC(=N3)Sc3cccc(c3)F)=N2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3458 |
| logD: | 3.3458 |
| logSw: | -3.7092 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.191 |
| InChI Key: | UWQVTKPSWFWYNY-UHFFFAOYSA-N |