3-(trifluoromethyl)phenyl 2-(3,4-dimethoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
3-(trifluoromethyl)phenyl 2-(3,4-dimethoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
3-(trifluoromethyl)phenyl 2-(3,4-dimethoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | G817-1728 |
| Compound Name: | 3-(trifluoromethyl)phenyl 2-(3,4-dimethoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 469.42 |
| Molecular Formula: | C25 H18 F3 N O5 |
| Smiles: | COc1ccc(cc1OC)N1C=C(C(=O)Oc2cccc(c2)C(F)(F)F)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 4.0962 |
| logD: | 4.0962 |
| logSw: | -4.5049 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.393 |
| InChI Key: | JWZPXAVHSKXIKQ-UHFFFAOYSA-N |