N-(3-chlorophenyl)-2-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)pyrazin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)pyrazin-2-yl]sulfanyl}acetamide
N-(3-chlorophenyl)-2-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)pyrazin-2-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | L981-0786 |
Compound Name: | N-(3-chlorophenyl)-2-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)pyrazin-2-yl]sulfanyl}acetamide |
Molecular Weight: | 410.92 |
Molecular Formula: | C21 H19 Cl N4 O S |
Smiles: | C1CN(Cc2ccccc12)c1c(nccn1)SCC(Nc1cccc(c1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 4.7511 |
logD: | 4.751 |
logSw: | -4.8773 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 44.391 |
InChI Key: | MEHGUUNSGCTVRD-UHFFFAOYSA-N |