N-[(2-bromophenyl)methyl]-2-{[6-(3,4-dihydroisoquinolin-2(1H)-yl)pyridazin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(2-bromophenyl)methyl]-2-{[6-(3,4-dihydroisoquinolin-2(1H)-yl)pyridazin-3-yl]sulfanyl}acetamide
N-[(2-bromophenyl)methyl]-2-{[6-(3,4-dihydroisoquinolin-2(1H)-yl)pyridazin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F814-1754 |
| Compound Name: | N-[(2-bromophenyl)methyl]-2-{[6-(3,4-dihydroisoquinolin-2(1H)-yl)pyridazin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 469.4 |
| Molecular Formula: | C22 H21 Br N4 O S |
| Smiles: | C1CN(Cc2ccccc12)c1ccc(nn1)SCC(NCc1ccccc1[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6764 |
| logD: | 4.6764 |
| logSw: | -4.4817 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.12 |
| InChI Key: | MMDCEEHYPSEYKL-UHFFFAOYSA-N |