rel-(3aR,6aR)-5-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-5-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
rel-(3aR,6aR)-5-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide
Compound characteristics
| Compound ID: | S985-0386 |
| Compound Name: | rel-(3aR,6aR)-5-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide |
| Molecular Weight: | 428.49 |
| Molecular Formula: | C22 H28 N4 O5 |
| Smiles: | CC(N1C[C@H]2CN(C[C@]2(C1)C(N1CCCC1)=O)C(Nc1ccc2c(c1)OCCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.345 |
| logD: | 0.3449 |
| logSw: | -1.9865 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.127 |
| InChI Key: | UATZSGCSMBWLMP-ZHRRBRCNSA-N |