3-methylphenyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
3-methylphenyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxylate
3-methylphenyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | G817-1881 |
| Compound Name: | 3-methylphenyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 423.39 |
| Molecular Formula: | C24 H16 F3 N O3 |
| Smiles: | Cc1cccc(c1)OC(C1=CN(C(c2ccccc12)=O)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9633 |
| logD: | 4.9633 |
| logSw: | -4.7991 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.132 |
| InChI Key: | JDJTXRYFFUBVDL-UHFFFAOYSA-N |