2-[(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}pyridazin-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Chemical Structure Depiction of
2-[(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}pyridazin-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
2-[(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}pyridazin-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Compound characteristics
| Compound ID: | F814-1540 |
| Compound Name: | 2-[(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}pyridazin-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide |
| Molecular Weight: | 452.49 |
| Molecular Formula: | C22 H20 N4 O5 S |
| Smiles: | C(c1ccc2c(c1)OCO2)Nc1ccc(nn1)SCC(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2469 |
| logD: | 2.2468 |
| logSw: | -2.8999 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.961 |
| InChI Key: | ZQMDRSUCDBDURM-UHFFFAOYSA-N |