[rel-(3aR,6aR)-5-[(3,5-difluorophenyl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](pyridin-3-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-5-[(3,5-difluorophenyl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](pyridin-3-yl)methanone
[rel-(3aR,6aR)-5-[(3,5-difluorophenyl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](pyridin-3-yl)methanone
Compound characteristics
| Compound ID: | SB47-0732 |
| Compound Name: | [rel-(3aR,6aR)-5-[(3,5-difluorophenyl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](pyridin-3-yl)methanone |
| Molecular Weight: | 424.45 |
| Molecular Formula: | C22 H22 F2 N6 O |
| Smiles: | Cc1nc([C@]23CN(Cc4cc(cc(c4)F)F)C[C@@H]3CN(C2)C(c2cccnc2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.637 |
| logD: | -2.5805 |
| logSw: | -1.5794 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.729 |
| InChI Key: | HJZTUWNUELSPOA-VGSWGCGISA-N |