N-(3-acetylphenyl)-2-{[6-(3,4-dihydroisoquinolin-2(1H)-yl)pyridazin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-2-{[6-(3,4-dihydroisoquinolin-2(1H)-yl)pyridazin-3-yl]sulfanyl}acetamide
N-(3-acetylphenyl)-2-{[6-(3,4-dihydroisoquinolin-2(1H)-yl)pyridazin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F814-1665 |
| Compound Name: | N-(3-acetylphenyl)-2-{[6-(3,4-dihydroisoquinolin-2(1H)-yl)pyridazin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 418.52 |
| Molecular Formula: | C23 H22 N4 O2 S |
| Smiles: | CC(c1cccc(c1)NC(CSc1ccc(nn1)N1CCc2ccccc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.864 |
| logD: | 3.8639 |
| logSw: | -3.8591 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.625 |
| InChI Key: | XDQMXDBJKKWUOU-UHFFFAOYSA-N |