13-[4-(2,5-dimethylphenyl)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-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2,3-diethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
13-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2,3-diethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
Compound characteristics
| Compound ID: | C289-0178 |
| Compound Name: | 13-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2,3-diethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one |
| Molecular Weight: | 553.7 |
| Molecular Formula: | C34 H39 N3 O4 |
| Smiles: | CCOc1cc2CCN3C(C(C(N4CCN(CC4)c4cc(C)ccc4C)=O)c4ccccc4C3=O)c2cc1OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6498 |
| logD: | 4.6497 |
| logSw: | -4.4195 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.974 |
| InChI Key: | WJIYBXIBIYHNRK-UHFFFAOYSA-N |