N-benzyl-2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
N-benzyl-2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | F804-1181 |
| Compound Name: | N-benzyl-2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide |
| Molecular Weight: | 409.44 |
| Molecular Formula: | C20 H16 F N5 O2 S |
| Smiles: | C(c1ccccc1)NC(CN1C(N2C(C=CC(=N2)Sc2cccc(c2)F)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3634 |
| logD: | 3.3634 |
| logSw: | -3.6278 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.648 |
| InChI Key: | IPQFUIVZBYQUAY-UHFFFAOYSA-N |