(4-chlorophenyl)methyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
(4-chlorophenyl)methyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxylate
(4-chlorophenyl)methyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | G817-1848 |
| Compound Name: | (4-chlorophenyl)methyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 457.84 |
| Molecular Formula: | C24 H15 Cl F3 N O3 |
| Smiles: | C(c1ccc(cc1)[Cl])OC(C1=CN(C(c2ccccc12)=O)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2394 |
| logD: | 5.2394 |
| logSw: | -5.7067 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.612 |
| InChI Key: | NPNRTGFBCKIRRJ-UHFFFAOYSA-N |