N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Chemical Structure Depiction of
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Compound characteristics
| Compound ID: | C289-0097 |
| Compound Name: | N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide |
| Molecular Weight: | 528.61 |
| Molecular Formula: | C31 H32 N2 O6 |
| Smiles: | CCOc1cc2CCN3C(C(C(NCC4COc5ccccc5O4)=O)c4ccccc4C3=O)c2cc1OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1582 |
| logD: | 3.1582 |
| logSw: | -3.5299 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.459 |
| InChI Key: | UDWMKFSUUPXLGA-UHFFFAOYSA-N |