2,3-diethoxy-13-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
Chemical Structure Depiction of
2,3-diethoxy-13-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
2,3-diethoxy-13-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
Compound characteristics
| Compound ID: | C289-0169 |
| Compound Name: | 2,3-diethoxy-13-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one |
| Molecular Weight: | 593.65 |
| Molecular Formula: | C33 H34 F3 N3 O4 |
| Smiles: | CCOc1cc2CCN3C(C(C(N4CCN(CC4)c4cccc(c4)C(F)(F)F)=O)c4ccccc4C3=O)c2cc1OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2925 |
| logD: | 4.2925 |
| logSw: | -4.2876 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.275 |
| InChI Key: | AIXGBLWSYYWTLK-UHFFFAOYSA-N |