(2H-1,3-benzodioxol-5-yl)methyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl)methyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxylate
(2H-1,3-benzodioxol-5-yl)methyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | G817-1854 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl)methyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 467.4 |
| Molecular Formula: | C25 H16 F3 N O5 |
| Smiles: | C(c1ccc2c(c1)OCO2)OC(C1=CN(C(c2ccccc12)=O)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5657 |
| logD: | 4.5657 |
| logSw: | -4.7461 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.728 |
| InChI Key: | SOOKUAILSSVMSF-UHFFFAOYSA-N |