2-(4-fluorophenyl)-1-[rel-(3aR,6aR)-5-(propan-2-yl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-fluorophenyl)-1-[rel-(3aR,6aR)-5-(propan-2-yl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
2-(4-fluorophenyl)-1-[rel-(3aR,6aR)-5-(propan-2-yl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | S984-1649 |
| Compound Name: | 2-(4-fluorophenyl)-1-[rel-(3aR,6aR)-5-(propan-2-yl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one |
| Molecular Weight: | 387.5 |
| Molecular Formula: | C22 H30 F N3 O2 |
| Smiles: | CC(C)N1C[C@H]2CN(C[C@]2(C1)C(N1CCCC1)=O)C(Cc1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.405 |
| logD: | -3.785 |
| logSw: | -2.5166 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.624 |
| InChI Key: | QRNGETHEKKETAH-GCJKJVERSA-N |