4-(4-benzylpiperidine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
4-(4-benzylpiperidine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-3,4-dihydroisoquinolin-1(2H)-one
4-(4-benzylpiperidine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C197-0053 |
| Compound Name: | 4-(4-benzylpiperidine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 544.71 |
| Molecular Formula: | C32 H36 N2 O4 S |
| Smiles: | CN1C(C(C(N2CCC(CC2)Cc2ccccc2)=O)c2cc(c(cc2C1=O)OC)OC)c1ccc(cc1)SC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4173 |
| logD: | 5.4173 |
| logSw: | -5.5438 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.326 |
| InChI Key: | SEQFZZOWMVLYMW-UHFFFAOYSA-N |