N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[1-(4-methoxyphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[1-(4-methoxyphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[1-(4-methoxyphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | L414-1882 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[1-(4-methoxyphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 425.46 |
| Molecular Formula: | C21 H19 N3 O5 S |
| Smiles: | COc1ccc(cc1)N1C(C=CC(=N1)SCC(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6227 |
| logD: | 2.6227 |
| logSw: | -3.109 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.679 |
| InChI Key: | GENZANIRMIULKD-UHFFFAOYSA-N |