2,2,2-trifluoroethyl 2-(3-chlorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
2,2,2-trifluoroethyl 2-(3-chlorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
2,2,2-trifluoroethyl 2-(3-chlorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | G817-1830 |
| Compound Name: | 2,2,2-trifluoroethyl 2-(3-chlorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 381.74 |
| Molecular Formula: | C18 H11 Cl F3 N O3 |
| Smiles: | C(C(F)(F)F)OC(C1=CN(C(c2ccccc12)=O)c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7598 |
| logD: | 3.7598 |
| logSw: | -4.238 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.884 |
| InChI Key: | KQDYUBNMJZPUGC-UHFFFAOYSA-N |