4-(ethoxycarbonyl)phenyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
4-(ethoxycarbonyl)phenyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxylate
4-(ethoxycarbonyl)phenyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | G817-1855 |
| Compound Name: | 4-(ethoxycarbonyl)phenyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 481.43 |
| Molecular Formula: | C26 H18 F3 N O5 |
| Smiles: | CCOC(c1ccc(cc1)OC(C1=CN(C(c2ccccc12)=O)c1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1594 |
| logD: | 5.1594 |
| logSw: | -5.0598 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.886 |
| InChI Key: | SXFLKQYBKDVQTC-UHFFFAOYSA-N |