methyl 4-{3-[rel-(3aR,7aS)-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]-2,5-dioxopyrrolidin-1-yl}benzoate
Chemical Structure Depiction of
methyl 4-{3-[rel-(3aR,7aS)-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]-2,5-dioxopyrrolidin-1-yl}benzoate
methyl 4-{3-[rel-(3aR,7aS)-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]-2,5-dioxopyrrolidin-1-yl}benzoate
Compound characteristics
| Compound ID: | 8018-9158 |
| Compound Name: | methyl 4-{3-[rel-(3aR,7aS)-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]-2,5-dioxopyrrolidin-1-yl}benzoate |
| Molecular Weight: | 354.4 |
| Molecular Formula: | C20 H22 N2 O4 |
| Smiles: | [H][C@@]12CC=CC[C@@]2([H])CN(C1)C1CC(N(C1=O)c1ccc(cc1)C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0666 |
| logD: | 2.0327 |
| logSw: | -2.4462 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.315 |
| InChI Key: | FTJJJXLDIWIXET-FKEKPDDDSA-N |