N-(4-bromophenyl)-2-{[6-(3,4-dihydroisoquinolin-2(1H)-yl)pyridazin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-{[6-(3,4-dihydroisoquinolin-2(1H)-yl)pyridazin-3-yl]sulfanyl}acetamide
N-(4-bromophenyl)-2-{[6-(3,4-dihydroisoquinolin-2(1H)-yl)pyridazin-3-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | F814-1681 |
Compound Name: | N-(4-bromophenyl)-2-{[6-(3,4-dihydroisoquinolin-2(1H)-yl)pyridazin-3-yl]sulfanyl}acetamide |
Molecular Weight: | 455.37 |
Molecular Formula: | C21 H19 Br N4 O S |
Smiles: | C1CN(Cc2ccccc12)c1ccc(nn1)SCC(Nc1ccc(cc1)[Br])=O |
Stereo: | ACHIRAL |
logP: | 4.957 |
logD: | 4.9569 |
logSw: | -4.7189 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 46.798 |
InChI Key: | SMJKIICYTVVNNF-UHFFFAOYSA-N |