N-[(4-fluorophenyl)methyl]-2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
N-[(4-fluorophenyl)methyl]-2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | F804-1201 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide |
| Molecular Weight: | 427.43 |
| Molecular Formula: | C20 H15 F2 N5 O2 S |
| Smiles: | C(c1ccc(cc1)F)NC(CN1C(N2C(C=CC(=N2)Sc2cccc(c2)F)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3925 |
| logD: | 3.3925 |
| logSw: | -3.7877 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.648 |
| InChI Key: | XNWKRNMRRPCEIJ-UHFFFAOYSA-N |