methyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Chemical Structure Depiction of
methyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
methyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Compound characteristics
| Compound ID: | 8016-2295 |
| Compound Name: | methyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate |
| Molecular Weight: | 353.3 |
| Molecular Formula: | C17 H14 F3 N O4 |
| Smiles: | COC(C1C2C(N(CC23C=CC1O3)c1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6123 |
| logD: | 2.6123 |
| logSw: | -2.9357 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.275 |
| InChI Key: | CTWTVHMQDVBVGF-UHFFFAOYSA-N |