13-(azepane-1-carbonyl)-2,3-diethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
Chemical Structure Depiction of
13-(azepane-1-carbonyl)-2,3-diethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
13-(azepane-1-carbonyl)-2,3-diethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
Compound characteristics
| Compound ID: | C289-0036 |
| Compound Name: | 13-(azepane-1-carbonyl)-2,3-diethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one |
| Molecular Weight: | 462.59 |
| Molecular Formula: | C28 H34 N2 O4 |
| Smiles: | CCOc1cc2CCN3C(C(C(N4CCCCCC4)=O)c4ccccc4C3=O)c2cc1OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3524 |
| logD: | 3.3524 |
| logSw: | -3.5647 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.346 |
| InChI Key: | JDBQOOWHPUBOEA-UHFFFAOYSA-N |