2-methyl-1-[rel-(3aR,6aR)-5-(propan-2-yl)-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-(propan-2-yl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
2-methyl-1-[rel-(3aR,6aR)-5-(propan-2-yl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
Compound characteristics
| Compound ID: | S984-1304 |
| Compound Name: | 2-methyl-1-[rel-(3aR,6aR)-5-(propan-2-yl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one |
| Molecular Weight: | 321.46 |
| Molecular Formula: | C18 H31 N3 O2 |
| Smiles: | CC(C)C(N1C[C@H]2CN(C[C@]2(C1)C(N1CCCC1)=O)C(C)C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.697 |
| logD: | -4.493 |
| logSw: | -1.6308 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.423 |
| InChI Key: | WDZRFUYGCLPEQR-YJBOKZPZSA-N |