2,2,2-trifluoroethyl 2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
2,2,2-trifluoroethyl 2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
2,2,2-trifluoroethyl 2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | G817-1595 |
| Compound Name: | 2,2,2-trifluoroethyl 2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 327.3 |
| Molecular Formula: | C16 H16 F3 N O3 |
| Smiles: | CC(C)CN1C=C(C(=O)OCC(F)(F)F)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.0438 |
| logD: | 3.0438 |
| logSw: | -3.4184 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.601 |
| InChI Key: | ZYOURKIBNPJORV-UHFFFAOYSA-N |