N-[(2,3-dimethoxyphenyl)methyl]-2-{6-[(4-methylphenyl)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-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
N-[(2,3-dimethoxyphenyl)methyl]-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | F804-0570 |
| Compound Name: | N-[(2,3-dimethoxyphenyl)methyl]-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide |
| Molecular Weight: | 465.53 |
| Molecular Formula: | C23 H23 N5 O4 S |
| Smiles: | Cc1ccc(cc1)SC1C=CC2=NN(CC(NCc3cccc(c3OC)OC)=O)C(N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0089 |
| logD: | 4.0089 |
| logSw: | -4.0998 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.995 |
| InChI Key: | WJYYPNTXUYQRPJ-UHFFFAOYSA-N |