2-(2,5-dimethoxyphenyl)-1-[rel-(3aR,6aR)-5-methyl-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Chemical Structure Depiction of
2-(2,5-dimethoxyphenyl)-1-[rel-(3aR,6aR)-5-methyl-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
2-(2,5-dimethoxyphenyl)-1-[rel-(3aR,6aR)-5-methyl-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | S985-0050 |
| Compound Name: | 2-(2,5-dimethoxyphenyl)-1-[rel-(3aR,6aR)-5-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: | CN1C[C@H]2CN(C[C@]2(C1)C(N1CCCC1)=O)C(Cc1cc(ccc1OC)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6355 |
| logD: | -4.0382 |
| logSw: | -2.1443 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.411 |
| InChI Key: | DZZKRCCYEBWTFT-JTSKRJEESA-N |