N-(2,4-dimethoxyphenyl)-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-(2,4-dimethoxyphenyl)-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
N-(2,4-dimethoxyphenyl)-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | F804-0534 |
| Compound Name: | N-(2,4-dimethoxyphenyl)-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C22 H21 N5 O4 S |
| Smiles: | Cc1ccc(cc1)SC1C=CC2=NN(CC(Nc3ccc(cc3OC)OC)=O)C(N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0354 |
| logD: | 4.0354 |
| logSw: | -4.1601 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.802 |
| InChI Key: | IFLQRJITBYZYQQ-UHFFFAOYSA-N |