1-[rel-(3aR,6aR)-5-[(3-methylthiophen-2-yl)methyl]-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-[(3-methylthiophen-2-yl)methyl]-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
1-[rel-(3aR,6aR)-5-[(3-methylthiophen-2-yl)methyl]-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | S985-0327 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-[(3-methylthiophen-2-yl)methyl]-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one |
| Molecular Weight: | 361.5 |
| Molecular Formula: | C19 H27 N3 O2 S |
| Smiles: | CC(N1C[C@H]2CN(Cc3c(C)ccs3)C[C@]2(C1)C(N1CCCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8143 |
| logD: | -2.4645 |
| logSw: | -2.3103 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.585 |
| InChI Key: | SLJGVVJCPFOGAT-APWZRJJASA-N |