N-[(2,4-dimethoxyphenyl)methyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Chemical Structure Depiction of
N-[(2,4-dimethoxyphenyl)methyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
N-[(2,4-dimethoxyphenyl)methyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Compound characteristics
| Compound ID: | C066-2445 |
| Compound Name: | N-[(2,4-dimethoxyphenyl)methyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide |
| Molecular Weight: | 442.51 |
| Molecular Formula: | C27 H26 N2 O4 |
| Smiles: | COc1ccc(CNC(C2C3c4ccccc4CCN3C(c3ccccc23)=O)=O)c(c1)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7481 |
| logD: | 3.748 |
| logSw: | -3.9357 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.534 |
| InChI Key: | QRBYSHREXVDSID-UHFFFAOYSA-N |