N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[6-(cyclohexanesulfonyl)pyridazin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[6-(cyclohexanesulfonyl)pyridazin-3-yl]sulfanyl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[6-(cyclohexanesulfonyl)pyridazin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | M043-0358 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[6-(cyclohexanesulfonyl)pyridazin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C20 H23 N3 O5 S2 |
| Smiles: | C1CCC(CC1)S(c1ccc(nn1)SCC(NCc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9735 |
| logD: | 2.9735 |
| logSw: | -3.347 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.126 |
| InChI Key: | YUWUOFFYKIJVAY-UHFFFAOYSA-N |