[rel-(3aR,6aR)-2-(3-fluoro-4-methoxybenzoyl)-5-(propan-2-yl)hexahydropyrrolo[3,4-c]pyrrol-3a(1H)-yl](pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-2-(3-fluoro-4-methoxybenzoyl)-5-(propan-2-yl)hexahydropyrrolo[3,4-c]pyrrol-3a(1H)-yl](pyrrolidin-1-yl)methanone
[rel-(3aR,6aR)-2-(3-fluoro-4-methoxybenzoyl)-5-(propan-2-yl)hexahydropyrrolo[3,4-c]pyrrol-3a(1H)-yl](pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | S985-0122 |
| Compound Name: | [rel-(3aR,6aR)-2-(3-fluoro-4-methoxybenzoyl)-5-(propan-2-yl)hexahydropyrrolo[3,4-c]pyrrol-3a(1H)-yl](pyrrolidin-1-yl)methanone |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C22 H30 F N3 O3 |
| Smiles: | CC(C)N1C[C@H]2CN(C[C@]2(C1)C(N1CCCC1)=O)C(c1ccc(c(c1)F)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0918 |
| logD: | -3.982 |
| logSw: | -2.7203 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.782 |
| InChI Key: | DNFURTBSKOVDIC-VGSWGCGISA-N |