2-[(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}pyridazin-3-yl)sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-[(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}pyridazin-3-yl)sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide
2-[(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}pyridazin-3-yl)sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | F814-1533 |
| Compound Name: | 2-[(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}pyridazin-3-yl)sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide |
| Molecular Weight: | 454.5 |
| Molecular Formula: | C22 H22 N4 O5 S |
| Smiles: | COc1cc(cc(c1)OC)NC(CSc1ccc(NCc2ccc3c(c2)OCO3)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4134 |
| logD: | 3.4132 |
| logSw: | -3.8042 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.225 |
| InChI Key: | SHMIJMTUILBHSQ-UHFFFAOYSA-N |