1-[rel-(3aR,6aR)-5-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
1-[rel-(3aR,6aR)-5-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | S985-0357 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one |
| Molecular Weight: | 383.49 |
| Molecular Formula: | C22 H29 N3 O3 |
| Smiles: | CC(N1C[C@H]2CN(Cc3ccc4c(CCO4)c3)C[C@]2(C1)C(N1CCCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.526 |
| logD: | -3.9274 |
| logSw: | -1.9349 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.805 |
| InChI Key: | BDFGOGKTEXOUMR-UGKGYDQZSA-N |