6,7-dimethoxy-2-methyl-4-(4-methylpiperidine-1-carbonyl)-3-[4-(methylsulfanyl)phenyl]-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
6,7-dimethoxy-2-methyl-4-(4-methylpiperidine-1-carbonyl)-3-[4-(methylsulfanyl)phenyl]-3,4-dihydroisoquinolin-1(2H)-one
6,7-dimethoxy-2-methyl-4-(4-methylpiperidine-1-carbonyl)-3-[4-(methylsulfanyl)phenyl]-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C197-0042 |
| Compound Name: | 6,7-dimethoxy-2-methyl-4-(4-methylpiperidine-1-carbonyl)-3-[4-(methylsulfanyl)phenyl]-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 468.61 |
| Molecular Formula: | C26 H32 N2 O4 S |
| Smiles: | CC1CCN(CC1)C(C1C(c2ccc(cc2)SC)N(C)C(c2cc(c(cc12)OC)OC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7769 |
| logD: | 3.7769 |
| logSw: | -3.9348 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.597 |
| InChI Key: | FDJJSCLZKIFVHY-UHFFFAOYSA-N |