6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-3-[4-(methylsulfanyl)phenyl]-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-3-[4-(methylsulfanyl)phenyl]-3,4-dihydroisoquinolin-1(2H)-one
6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-3-[4-(methylsulfanyl)phenyl]-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C197-0037 |
| Compound Name: | 6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-3-[4-(methylsulfanyl)phenyl]-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 561.7 |
| Molecular Formula: | C31 H35 N3 O5 S |
| Smiles: | CN1C(C(C(N2CCN(CC2)c2ccccc2OC)=O)c2cc(c(cc2C1=O)OC)OC)c1ccc(cc1)SC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0825 |
| logD: | 4.0821 |
| logSw: | -4.223 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.187 |
| InChI Key: | BBCONMREDOVRAI-UHFFFAOYSA-N |