N-[(2H-1,3-benzodioxol-5-yl)methyl]-10,11-dimethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-10,11-dimethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-10,11-dimethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Compound characteristics
| Compound ID: | C358-0165 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-10,11-dimethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide |
| Molecular Weight: | 486.52 |
| Molecular Formula: | C28 H26 N2 O6 |
| Smiles: | COc1cc2C(C3c4ccccc4CCN3C(c2cc1OC)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1817 |
| logD: | 3.1817 |
| logSw: | -3.3876 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.736 |
| InChI Key: | IYDMBUNSYHUYRZ-UHFFFAOYSA-N |