N-(2H-1,3-benzodioxol-5-yl)-2-{[6-(4-methylbenzene-1-sulfonyl)pyridazin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[6-(4-methylbenzene-1-sulfonyl)pyridazin-3-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[6-(4-methylbenzene-1-sulfonyl)pyridazin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | M043-0738 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[6-(4-methylbenzene-1-sulfonyl)pyridazin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 443.5 |
| Molecular Formula: | C20 H17 N3 O5 S2 |
| Smiles: | Cc1ccc(cc1)S(c1ccc(nn1)SCC(Nc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3223 |
| logD: | 3.3222 |
| logSw: | -3.6675 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.611 |
| InChI Key: | GVAKXKLYBZBNOK-UHFFFAOYSA-N |