1-[rel-(3aR,6aR)-5-[(2-chlorophenyl)methyl]-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-[(2-chlorophenyl)methyl]-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one
1-[rel-(3aR,6aR)-5-[(2-chlorophenyl)methyl]-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S985-0208 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-[(2-chlorophenyl)methyl]-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one |
| Molecular Weight: | 403.95 |
| Molecular Formula: | C22 H30 Cl N3 O2 |
| Smiles: | CC(C)C(N1C[C@H]2CN(Cc3ccccc3[Cl])C[C@]2(C1)C(N1CCCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0843 |
| logD: | -1.0486 |
| logSw: | -3.214 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.099 |
| InChI Key: | TWLHUTDQFOZCNO-GCJKJVERSA-N |