1-[rel-(3aR,6aR)-5-[(3-fluoropyridin-4-yl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-[(3-fluoropyridin-4-yl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
1-[rel-(3aR,6aR)-5-[(3-fluoropyridin-4-yl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
Compound characteristics
| Compound ID: | SB47-0115 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-[(3-fluoropyridin-4-yl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one |
| Molecular Weight: | 358.42 |
| Molecular Formula: | C18 H23 F N6 O |
| Smiles: | CCC(N1C[C@H]2CN(Cc3ccncc3F)C[C@]2(C1)c1nc(C)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0038 |
| logD: | -2.4031 |
| logSw: | -1.4836 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.473 |
| InChI Key: | LCQAMAYNRHZVAK-KDOFPFPSSA-N |