methyl 3-[rel-(4R,7S)-4,7-dimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl]benzoate
Chemical Structure Depiction of
methyl 3-[rel-(4R,7S)-4,7-dimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl]benzoate
methyl 3-[rel-(4R,7S)-4,7-dimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl]benzoate
Compound characteristics
| Compound ID: | 8008-3672 |
| Compound Name: | methyl 3-[rel-(4R,7S)-4,7-dimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl]benzoate |
| Molecular Weight: | 327.33 |
| Molecular Formula: | C18 H17 N O5 |
| Smiles: | C[C@]12C=C[C@](C)(C3C1C(N(C3=O)c1cccc(c1)C(=O)OC)=O)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6332 |
| logD: | 1.6332 |
| logSw: | -1.949 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.272 |
| InChI Key: | WXLYEDYLTMZPAJ-UHFFFAOYSA-N |