[rel-(3aR,6aR)-2-[3-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]-5-methylhexahydropyrrolo[3,4-c]pyrrol-3a(1H)-yl](pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-2-[3-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]-5-methylhexahydropyrrolo[3,4-c]pyrrol-3a(1H)-yl](pyrrolidin-1-yl)methanone
[rel-(3aR,6aR)-2-[3-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]-5-methylhexahydropyrrolo[3,4-c]pyrrol-3a(1H)-yl](pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | S985-0064 |
| Compound Name: | [rel-(3aR,6aR)-2-[3-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]-5-methylhexahydropyrrolo[3,4-c]pyrrol-3a(1H)-yl](pyrrolidin-1-yl)methanone |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C22 H26 F N5 O2 |
| Smiles: | CN1C[C@H]2CN(C[C@]2(C1)C(N1CCCC1)=O)C(c1c[nH]nc1c1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5308 |
| logD: | -4.0267 |
| logSw: | -2.339 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.954 |
| InChI Key: | YJNNHOIBKPAVDG-ZHRRBRCNSA-N |