N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-6-yl)-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-6-yl)-2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Compound characteristics
| Compound ID: | C289-0030 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide |
| Molecular Weight: | 514.58 |
| Molecular Formula: | C30 H30 N2 O6 |
| Smiles: | CCOc1cc2CCN3C(C(C(Nc4ccc5c(c4)OCCO5)=O)c4ccccc4C3=O)c2cc1OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5146 |
| logD: | 2.5127 |
| logSw: | -3.1674 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.281 |
| InChI Key: | VHPAZSOPVNQFKG-UHFFFAOYSA-N |