ethyl 4-[1-oxo-2-(3,4,5-trifluorophenyl)-1,2-dihydroisoquinoline-4-carbonyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[1-oxo-2-(3,4,5-trifluorophenyl)-1,2-dihydroisoquinoline-4-carbonyl]piperazine-1-carboxylate
ethyl 4-[1-oxo-2-(3,4,5-trifluorophenyl)-1,2-dihydroisoquinoline-4-carbonyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | Y041-2989 |
| Compound Name: | ethyl 4-[1-oxo-2-(3,4,5-trifluorophenyl)-1,2-dihydroisoquinoline-4-carbonyl]piperazine-1-carboxylate |
| Molecular Weight: | 459.42 |
| Molecular Formula: | C23 H20 F3 N3 O4 |
| Smiles: | CCOC(N1CCN(CC1)C(C1=CN(C(c2ccccc12)=O)c1cc(c(c(c1)F)F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9004 |
| logD: | 2.9004 |
| logSw: | -3.3539 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.183 |
| InChI Key: | KFZOGOQYBDATKC-UHFFFAOYSA-N |