N-benzyl-2-{[6-(3,4-dihydroisoquinolin-2(1H)-yl)pyridazin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{[6-(3,4-dihydroisoquinolin-2(1H)-yl)pyridazin-3-yl]sulfanyl}acetamide
N-benzyl-2-{[6-(3,4-dihydroisoquinolin-2(1H)-yl)pyridazin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F814-1701 |
| Compound Name: | N-benzyl-2-{[6-(3,4-dihydroisoquinolin-2(1H)-yl)pyridazin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 390.51 |
| Molecular Formula: | C22 H22 N4 O S |
| Smiles: | C1CN(Cc2ccccc12)c1ccc(nn1)SCC(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8044 |
| logD: | 3.8044 |
| logSw: | -3.9325 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.12 |
| InChI Key: | JEMJSJPSUOKKOU-UHFFFAOYSA-N |