1-[rel-(3aR,6aR)-5-(5-chloro-2-fluorobenzoyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-(5-chloro-2-fluorobenzoyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
1-[rel-(3aR,6aR)-5-(5-chloro-2-fluorobenzoyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | S984-1052 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-(5-chloro-2-fluorobenzoyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one |
| Molecular Weight: | 407.87 |
| Molecular Formula: | C20 H23 Cl F N3 O3 |
| Smiles: | CC(N1C[C@H]2CN(C[C@]2(C1)C(N1CCCC1)=O)C(c1cc(ccc1F)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9045 |
| logD: | 1.9045 |
| logSw: | -3.0541 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.483 |
| InChI Key: | BGDKRUIULWZKKU-VLIAUNLRSA-N |