3-(trifluoromethyl)phenyl 2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
3-(trifluoromethyl)phenyl 2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
3-(trifluoromethyl)phenyl 2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | G817-1526 |
| Compound Name: | 3-(trifluoromethyl)phenyl 2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 347.29 |
| Molecular Formula: | C18 H12 F3 N O3 |
| Smiles: | CN1C=C(C(=O)Oc2cccc(c2)C(F)(F)F)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.8459 |
| logD: | 2.8459 |
| logSw: | -3.6234 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.565 |
| InChI Key: | PSSJWSKVBUSIOX-UHFFFAOYSA-N |