8-oxo-N-[3-(trifluoromethyl)phenyl]-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Chemical Structure Depiction of
8-oxo-N-[3-(trifluoromethyl)phenyl]-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
8-oxo-N-[3-(trifluoromethyl)phenyl]-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Compound characteristics
| Compound ID: | C240-0009 |
| Compound Name: | 8-oxo-N-[3-(trifluoromethyl)phenyl]-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide |
| Molecular Weight: | 436.43 |
| Molecular Formula: | C25 H19 F3 N2 O2 |
| Smiles: | C1CN2C(C(C(Nc3cccc(c3)C(F)(F)F)=O)c3ccccc3C2=O)c2ccccc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1441 |
| logD: | 5.1207 |
| logSw: | -5.3553 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.037 |
| InChI Key: | WGHSAKDZQLUQQS-UHFFFAOYSA-N |