4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-3,4-dihydroisoquinolin-1(2H)-one
4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C197-0087 |
| Compound Name: | 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 589.71 |
| Molecular Formula: | C32 H35 N3 O6 S |
| Smiles: | CN1C(C(C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)c2cc(c(cc2C1=O)OC)OC)c1ccc(cc1)SC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.634 |
| logD: | 3.1978 |
| logSw: | -3.8634 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.254 |
| InChI Key: | UNFXZYSBFXWENQ-UHFFFAOYSA-N |