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 |