2-[(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}pyridazin-3-yl)sulfanyl]-N-(3-chloro-4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-[(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}pyridazin-3-yl)sulfanyl]-N-(3-chloro-4-methoxyphenyl)acetamide
2-[(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}pyridazin-3-yl)sulfanyl]-N-(3-chloro-4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | F814-1524 |
| Compound Name: | 2-[(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}pyridazin-3-yl)sulfanyl]-N-(3-chloro-4-methoxyphenyl)acetamide |
| Molecular Weight: | 458.92 |
| Molecular Formula: | C21 H19 Cl N4 O4 S |
| Smiles: | COc1ccc(cc1[Cl])NC(CSc1ccc(NCc2ccc3c(c2)OCO3)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.785 |
| logD: | 3.7846 |
| logSw: | -4.1234 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.768 |
| InChI Key: | NZTKBUAAXRQMCJ-UHFFFAOYSA-N |