2,3-diethoxy-N-(2-methyl-3-nitrophenyl)-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Chemical Structure Depiction of
2,3-diethoxy-N-(2-methyl-3-nitrophenyl)-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
2,3-diethoxy-N-(2-methyl-3-nitrophenyl)-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Compound characteristics
| Compound ID: | C289-0195 |
| Compound Name: | 2,3-diethoxy-N-(2-methyl-3-nitrophenyl)-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide |
| Molecular Weight: | 515.57 |
| Molecular Formula: | C29 H29 N3 O6 |
| Smiles: | CCOc1cc2CCN3C(C(C(Nc4cccc(c4C)[N+]([O-])=O)=O)c4ccccc4C3=O)c2cc1OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7781 |
| logD: | 3.7146 |
| logSw: | -3.98 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.84 |
| InChI Key: | YNCBMUPEVCQXKI-UHFFFAOYSA-N |