1-[rel-(3aR,6aR)-5-[(2,4-dimethoxyphenyl)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-[(2,4-dimethoxyphenyl)methyl]-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
1-[rel-(3aR,6aR)-5-[(2,4-dimethoxyphenyl)methyl]-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | S985-0322 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-[(2,4-dimethoxyphenyl)methyl]-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one |
| Molecular Weight: | 401.51 |
| Molecular Formula: | C22 H31 N3 O4 |
| Smiles: | CC(N1C[C@H]2CN(Cc3ccc(cc3OC)OC)C[C@]2(C1)C(N1CCCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.632 |
| logD: | -2.818 |
| logSw: | -2.0742 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.741 |
| InChI Key: | SAGORYAYMZNHOE-AVRDEDQJSA-N |