4-(4-benzylpiperazine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
4-(4-benzylpiperazine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-3,4-dihydroisoquinolin-1(2H)-one
4-(4-benzylpiperazine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C197-0076 |
| Compound Name: | 4-(4-benzylpiperazine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 545.7 |
| Molecular Formula: | C31 H35 N3 O4 S |
| Smiles: | CN1C(C(C(N2CCN(CC2)Cc2ccccc2)=O)c2cc(c(cc2C1=O)OC)OC)c1ccc(cc1)SC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7628 |
| logD: | 3.7164 |
| logSw: | -3.9646 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.138 |
| InChI Key: | FDKLELVYTXYHDZ-UHFFFAOYSA-N |