2-methyl-1-[rel-(3aR,6aR)-5-(2-methylpyridine-4-carbonyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
Chemical Structure Depiction of
2-methyl-1-[rel-(3aR,6aR)-5-(2-methylpyridine-4-carbonyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
2-methyl-1-[rel-(3aR,6aR)-5-(2-methylpyridine-4-carbonyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
Compound characteristics
| Compound ID: | S984-1362 |
| Compound Name: | 2-methyl-1-[rel-(3aR,6aR)-5-(2-methylpyridine-4-carbonyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one |
| Molecular Weight: | 398.5 |
| Molecular Formula: | C22 H30 N4 O3 |
| Smiles: | CC(C)C(N1C[C@H]2CN(C[C@]2(C1)C(N1CCCC1)=O)C(c1ccnc(C)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0391 |
| logD: | 1.0276 |
| logSw: | -1.7729 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.869 |
| InChI Key: | ZDJFFUGCQWHLOX-GCJKJVERSA-N |