1-[rel-(3aR,6aR)-5-(2,3-dimethoxybenzoyl)-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-dimethoxybenzoyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
1-[rel-(3aR,6aR)-5-(2,3-dimethoxybenzoyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | S984-1046 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-(2,3-dimethoxybenzoyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one |
| Molecular Weight: | 415.49 |
| Molecular Formula: | C22 H29 N3 O5 |
| Smiles: | CC(N1C[C@H]2CN(C[C@]2(C1)C(N1CCCC1)=O)C(c1cccc(c1OC)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9618 |
| logD: | 0.9618 |
| logSw: | -2.101 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.83 |
| InChI Key: | GCNRMNONILAKSG-ZHRRBRCNSA-N |