N-[(2,3-dimethoxyphenyl)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-[(2,3-dimethoxyphenyl)methyl]-2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
N-[(2,3-dimethoxyphenyl)methyl]-2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | F804-1187 |
| Compound Name: | N-[(2,3-dimethoxyphenyl)methyl]-2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide |
| Molecular Weight: | 469.49 |
| Molecular Formula: | C22 H20 F N5 O4 S |
| Smiles: | COc1cccc(CNC(CN2C(N3C(C=CC(=N3)Sc3cccc(c3)F)=N2)=O)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 3.5043 |
| logD: | 3.5043 |
| logSw: | -3.7776 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.995 |
| InChI Key: | HLYKPEQPBZIJIP-UHFFFAOYSA-N |