{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 |