N-(2H-1,3-benzodioxol-5-yl)-2-[(6-{[(4-methylphenyl)methyl]amino}pyridazin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[(6-{[(4-methylphenyl)methyl]amino}pyridazin-3-yl)sulfanyl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[(6-{[(4-methylphenyl)methyl]amino}pyridazin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | F814-1071 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(6-{[(4-methylphenyl)methyl]amino}pyridazin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 408.48 |
| Molecular Formula: | C21 H20 N4 O3 S |
| Smiles: | Cc1ccc(CNc2ccc(nn2)SCC(Nc2ccc3c(c2)OCO3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6177 |
| logD: | 3.6177 |
| logSw: | -3.6563 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.137 |
| InChI Key: | VGPPTQDMUATZGG-UHFFFAOYSA-N |