13-(azepane-1-carbonyl)-10,11-dimethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
Chemical Structure Depiction of
13-(azepane-1-carbonyl)-10,11-dimethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
13-(azepane-1-carbonyl)-10,11-dimethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
Compound characteristics
| Compound ID: | C358-0036 |
| Compound Name: | 13-(azepane-1-carbonyl)-10,11-dimethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one |
| Molecular Weight: | 434.53 |
| Molecular Formula: | C26 H30 N2 O4 |
| Smiles: | COc1cc2C(C3c4ccccc4CCN3C(c2cc1OC)=O)C(N1CCCCCC1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6514 |
| logD: | 3.6514 |
| logSw: | -3.7794 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.186 |
| InChI Key: | AIKGQVKZHWQDRJ-UHFFFAOYSA-N |