1-[rel-(3aR,6aR)-5-{[4-(propan-2-yl)phenyl]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-{[4-(propan-2-yl)phenyl]methyl}-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
1-[rel-(3aR,6aR)-5-{[4-(propan-2-yl)phenyl]methyl}-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | S985-0406 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-{[4-(propan-2-yl)phenyl]methyl}-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one |
| Molecular Weight: | 383.53 |
| Molecular Formula: | C23 H33 N3 O2 |
| Smiles: | CC(C)c1ccc(CN2C[C@@H]3CN(C[C@@]3(C2)C(N2CCCC2)=O)C(C)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8658 |
| logD: | -2.3612 |
| logSw: | -2.8127 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.567 |
| InChI Key: | HYWQDPCCZCNGLQ-GMAHTHKFSA-N |