1-[rel-(3aR,6aR)-5-(3,4-dimethylbenzoyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-(3,4-dimethylbenzoyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
1-[rel-(3aR,6aR)-5-(3,4-dimethylbenzoyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Compound characteristics
Compound ID: | S984-1034 |
Compound Name: | 1-[rel-(3aR,6aR)-5-(3,4-dimethylbenzoyl)-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(C[C@]2(C1)C(N1CCCC1)=O)C(c1ccc(C)c(C)c1)=O)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 1.8763 |
logD: | 1.8763 |
logSw: | -2.2706 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 51.483 |
InChI Key: | RTOSJCOIQSUOOM-KNQAVFIVSA-N |