1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Chemical Structure Depiction of
1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Compound characteristics
| Compound ID: | 8016-1158 |
| Compound Name: | 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid |
| Molecular Weight: | 339.27 |
| Molecular Formula: | C16 H12 F3 N O4 |
| Smiles: | C1C23C=CC(C(C2C(N1c1cccc(c1)C(F)(F)F)=O)C(O)=O)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1576 |
| logD: | -0.0637 |
| logSw: | -2.4509 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.51 |
| InChI Key: | LAAHNNVDJMNWOR-UHFFFAOYSA-N |