10,11-dimethoxy-N-[2-(methylsulfanyl)phenyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Chemical Structure Depiction of
10,11-dimethoxy-N-[2-(methylsulfanyl)phenyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
10,11-dimethoxy-N-[2-(methylsulfanyl)phenyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Compound characteristics
| Compound ID: | C066-2352 |
| Compound Name: | 10,11-dimethoxy-N-[2-(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: | COc1cc2C(C3c4ccccc4CCN3C(c2cc1OC)=O)C(Nc1ccccc1SC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1952 |
| logD: | 4.195 |
| logSw: | -4.2072 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.6 |
| InChI Key: | GEZDXWQYTAIXOS-UHFFFAOYSA-N |