4-(3,5-dimethylpiperidine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
4-(3,5-dimethylpiperidine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-3,4-dihydroisoquinolin-1(2H)-one
4-(3,5-dimethylpiperidine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C197-0084 |
| Compound Name: | 4-(3,5-dimethylpiperidine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 482.64 |
| Molecular Formula: | C27 H34 N2 O4 S |
| Smiles: | CC1CC(C)CN(C1)C(C1C(c2ccc(cc2)SC)N(C)C(c2cc(c(cc12)OC)OC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2981 |
| logD: | 4.2981 |
| logSw: | -4.3589 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.464 |
| InChI Key: | CFKHOECCTVOMPT-UHFFFAOYSA-N |