2,3-dimethoxy-N-[3-(methylsulfanyl)phenyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Chemical Structure Depiction of
2,3-dimethoxy-N-[3-(methylsulfanyl)phenyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
2,3-dimethoxy-N-[3-(methylsulfanyl)phenyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Compound characteristics
| Compound ID: | C265-0442 |
| Compound Name: | 2,3-dimethoxy-N-[3-(methylsulfanyl)phenyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C27 H26 N2 O4 S |
| Smiles: | COc1cc2CCN3C(C(C(Nc4cccc(c4)SC)=O)c4ccccc4C3=O)c2cc1OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7117 |
| logD: | 3.7116 |
| logSw: | -3.9887 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.298 |
| InChI Key: | JXIJTBSMKHLASL-UHFFFAOYSA-N |