4-fluorophenyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
4-fluorophenyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxylate
4-fluorophenyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | G817-1851 |
| Compound Name: | 4-fluorophenyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 427.35 |
| Molecular Formula: | C23 H13 F4 N O3 |
| Smiles: | C1=C(C(=O)Oc2ccc(cc2)F)c2ccccc2C(N1c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5871 |
| logD: | 4.5871 |
| logSw: | -4.6745 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.132 |
| InChI Key: | YKYGTQGJWZQGSQ-UHFFFAOYSA-N |