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
13-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
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: | C240-0169 |
| Compound Name: | 13-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one |
| Molecular Weight: | 505.54 |
| Molecular Formula: | C29 H26 F3 N3 O2 |
| Smiles: | C1CN2C(C(C(N3CCN(CC3)c3cccc(c3)C(F)(F)F)=O)c3ccccc3C2=O)c2ccccc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8514 |
| logD: | 4.8514 |
| logSw: | -4.8704 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.855 |
| InChI Key: | IWFYQHLBQHCWLY-UHFFFAOYSA-N |