13-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2,3-diethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
Chemical Structure Depiction of
13-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2,3-diethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
13-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2,3-diethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
Compound characteristics
| Compound ID: | C289-0087 |
| Compound Name: | 13-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2,3-diethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one |
| Molecular Weight: | 583.69 |
| Molecular Formula: | C34 H37 N3 O6 |
| Smiles: | CCOc1cc2CCN3C(C(C(N4CCN(CC4)Cc4ccc5c(c4)OCO5)=O)c4ccccc4C3=O)c2cc1OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.044 |
| logD: | 2.6078 |
| logSw: | -3.4067 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.671 |
| InChI Key: | KMQJEGUJKCVTAT-UHFFFAOYSA-N |