{4-[(2-chlorophenyl)sulfanyl]-3-nitrophenyl}(3,4-dihydroisoquinolin-2(1H)-yl)methanone
Chemical Structure Depiction of
{4-[(2-chlorophenyl)sulfanyl]-3-nitrophenyl}(3,4-dihydroisoquinolin-2(1H)-yl)methanone
{4-[(2-chlorophenyl)sulfanyl]-3-nitrophenyl}(3,4-dihydroisoquinolin-2(1H)-yl)methanone
Compound characteristics
Compound ID: | K781-2330 |
Compound Name: | {4-[(2-chlorophenyl)sulfanyl]-3-nitrophenyl}(3,4-dihydroisoquinolin-2(1H)-yl)methanone |
Molecular Weight: | 424.9 |
Molecular Formula: | C22 H17 Cl N2 O3 S |
Smiles: | C1CN(Cc2ccccc12)C(c1ccc(c(c1)[N+]([O-])=O)Sc1ccccc1[Cl])=O |
Stereo: | ACHIRAL |
logP: | 5.5462 |
logD: | 5.5462 |
logSw: | -5.9969 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 49.358 |
InChI Key: | WPAZNWHGSFUHMX-UHFFFAOYSA-N |