(furan-2-yl)methyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
(furan-2-yl)methyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxylate
(furan-2-yl)methyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | G817-1852 |
| Compound Name: | (furan-2-yl)methyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 413.35 |
| Molecular Formula: | C22 H14 F3 N O4 |
| Smiles: | C(c1ccco1)OC(C1=CN(C(c2ccccc12)=O)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9684 |
| logD: | 3.9684 |
| logSw: | -4.3604 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.361 |
| InChI Key: | ASMLWWDUNJOPKC-UHFFFAOYSA-N |