10,11-dimethoxy-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
10,11-dimethoxy-13-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
10,11-dimethoxy-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: | C358-0169 |
| Compound Name: | 10,11-dimethoxy-13-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one |
| Molecular Weight: | 565.59 |
| Molecular Formula: | C31 H30 F3 N3 O4 |
| Smiles: | COc1cc2C(C3c4ccccc4CCN3C(c2cc1OC)=O)C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5915 |
| logD: | 4.5915 |
| logSw: | -4.4849 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.116 |
| InChI Key: | BQPWEVVHUOZHFF-UHFFFAOYSA-N |