N-(2H-1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C197-0081 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 506.58 |
| Molecular Formula: | C27 H26 N2 O6 S |
| Smiles: | CN1C(C(C(Nc2ccc3c(c2)OCO3)=O)c2cc(c(cc2C1=O)OC)OC)c1ccc(cc1)SC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9651 |
| logD: | 3.9632 |
| logSw: | -4.1118 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.156 |
| InChI Key: | MOVMVVNFAZGUAX-UHFFFAOYSA-N |