ethyl 4-[rel-(4R,7S)-4-(hydroxymethyl)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl]benzoate
Chemical Structure Depiction of
ethyl 4-[rel-(4R,7S)-4-(hydroxymethyl)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl]benzoate
ethyl 4-[rel-(4R,7S)-4-(hydroxymethyl)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl]benzoate
Compound characteristics
| Compound ID: | 3970-0858 |
| Compound Name: | ethyl 4-[rel-(4R,7S)-4-(hydroxymethyl)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl]benzoate |
| Molecular Weight: | 343.33 |
| Molecular Formula: | C18 H17 N O6 |
| Smiles: | CCOC(c1ccc(cc1)N1C(C2C(C1=O)[C@]1(CO)C=C[C@H]2O1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.9199 |
| logD: | 0.9199 |
| logSw: | -1.5402 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.865 |
| InChI Key: | PYDIIHHQIIHWSY-UHFFFAOYSA-N |