3-(trifluoromethyl)phenyl 2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
3-(trifluoromethyl)phenyl 2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
3-(trifluoromethyl)phenyl 2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | G817-1568 |
| Compound Name: | 3-(trifluoromethyl)phenyl 2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 389.37 |
| Molecular Formula: | C21 H18 F3 N O3 |
| Smiles: | CC(C)CN1C=C(C(=O)Oc2cccc(c2)C(F)(F)F)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 4.362 |
| logD: | 4.362 |
| logSw: | -4.4721 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.85 |
| InChI Key: | UGPIKBNOYLCKEF-UHFFFAOYSA-N |