2,3-diethoxy-8-oxo-N-[4-(propan-2-yl)phenyl]-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Chemical Structure Depiction of
2,3-diethoxy-8-oxo-N-[4-(propan-2-yl)phenyl]-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
2,3-diethoxy-8-oxo-N-[4-(propan-2-yl)phenyl]-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Compound characteristics
Compound ID: | C289-0102 |
Compound Name: | 2,3-diethoxy-8-oxo-N-[4-(propan-2-yl)phenyl]-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide |
Molecular Weight: | 498.62 |
Molecular Formula: | C31 H34 N2 O4 |
Smiles: | CCOc1cc2CCN3C(C(C(Nc4ccc(cc4)C(C)C)=O)c4ccccc4C3=O)c2cc1OCC |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.8802 |
logD: | 4.8801 |
logSw: | -4.3895 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 53.458 |
InChI Key: | WGPGKIIWBRTAKJ-UHFFFAOYSA-N |