6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1(2H)-one
6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C197-0046 |
| Compound Name: | 6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 576.67 |
| Molecular Formula: | C30 H32 N4 O6 S |
| Smiles: | CN1C(C(C(N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)=O)c2cc(c(cc2C1=O)OC)OC)c1ccc(cc1)SC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.129 |
| logD: | 4.129 |
| logSw: | -4.2689 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.239 |
| InChI Key: | VJFJLGVZDHDXMU-UHFFFAOYSA-N |