N-[(2H-1,3-benzodioxol-5-yl)methyl]-6,7-dimethoxy-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6,7-dimethoxy-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6,7-dimethoxy-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C066-1311 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-6,7-dimethoxy-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 396.4 |
| Molecular Formula: | C21 H20 N2 O6 |
| Smiles: | CN1C=C(C(NCc2ccc3c(c2)OCO3)=O)c2cc(c(cc2C1=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 1.6811 |
| logD: | 1.681 |
| logSw: | -2.473 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.977 |
| InChI Key: | FYCPKYUDGBBRCH-UHFFFAOYSA-N |