N-(2H-1,3-benzodioxol-5-yl)-2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | F804-1136 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide |
| Molecular Weight: | 439.42 |
| Molecular Formula: | C20 H14 F N5 O4 S |
| Smiles: | C(C(Nc1ccc2c(c1)OCO2)=O)N1C(N2C(C=CC(=N2)Sc2cccc(c2)F)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6188 |
| logD: | 3.6187 |
| logSw: | -3.8075 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.441 |
| InChI Key: | XXWBSOBVEHVAOW-UHFFFAOYSA-N |