2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}-N-[3-(propan-2-yl)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-(propan-2-yl)phenyl]acetamide
2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}-N-[3-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | F804-1237 |
| Compound Name: | 2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}-N-[3-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 437.49 |
| Molecular Formula: | C22 H20 F N5 O2 S |
| Smiles: | CC(C)c1cccc(c1)NC(CN1C(N2C(C=CC(=N2)Sc2cccc(c2)F)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1354 |
| logD: | 5.1354 |
| logSw: | -4.9758 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.326 |
| InChI Key: | ZZKKHAVYLQFBRF-UHFFFAOYSA-N |