3,5-dimethylphenyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
3,5-dimethylphenyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxylate
3,5-dimethylphenyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
Compound ID: | G817-1857 |
Compound Name: | 3,5-dimethylphenyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxylate |
Molecular Weight: | 437.42 |
Molecular Formula: | C25 H18 F3 N O3 |
Smiles: | Cc1cc(C)cc(c1)OC(C1=CN(C(c2ccccc12)=O)c1cccc(c1)C(F)(F)F)=O |
Stereo: | ACHIRAL |
logP: | 5.3407 |
logD: | 5.3407 |
logSw: | -5.5649 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 36.132 |
InChI Key: | MXUDMRWONJLIRA-UHFFFAOYSA-N |