2-methyl-1-[rel-(3aR,6aR)-3a-(pyrrolidine-1-carbonyl)-5-(thiophene-3-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
Chemical Structure Depiction of
2-methyl-1-[rel-(3aR,6aR)-3a-(pyrrolidine-1-carbonyl)-5-(thiophene-3-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
2-methyl-1-[rel-(3aR,6aR)-3a-(pyrrolidine-1-carbonyl)-5-(thiophene-3-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
Compound characteristics
| Compound ID: | S985-0247 |
| Compound Name: | 2-methyl-1-[rel-(3aR,6aR)-3a-(pyrrolidine-1-carbonyl)-5-(thiophene-3-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one |
| Molecular Weight: | 389.52 |
| Molecular Formula: | C20 H27 N3 O3 S |
| Smiles: | CC(C)C(N1C[C@H]2CN(C[C@]2(C1)C(N1CCCC1)=O)C(c1ccsc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7077 |
| logD: | 1.7077 |
| logSw: | -2.2928 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.033 |
| InChI Key: | SQQDVKPWNNZAQQ-UZLBHIALSA-N |