N-[(2H-1,3-benzodioxol-5-yl)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-[(2H-1,3-benzodioxol-5-yl)methyl]-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)methyl]-2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | F804-1188 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide |
| Molecular Weight: | 453.45 |
| Molecular Formula: | C21 H16 F N5 O4 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CN1C(N2C(C=CC(=N2)Sc2cccc(c2)F)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2765 |
| logD: | 3.2765 |
| logSw: | -3.4565 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.763 |
| InChI Key: | COKSYMCFMVGUQU-UHFFFAOYSA-N |