1-[rel-(3aR,6aR)-5-benzyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(2-methyl-1H-imidazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-benzyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(2-methyl-1H-imidazol-1-yl)ethan-1-one
1-[rel-(3aR,6aR)-5-benzyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(2-methyl-1H-imidazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | SB47-0523 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-benzyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(2-methyl-1H-imidazol-1-yl)ethan-1-one |
| Molecular Weight: | 405.5 |
| Molecular Formula: | C22 H27 N7 O |
| Smiles: | Cc1nc([C@@]23CN(Cc4ccccc4)C[C@H]3CN(C2)C(Cn2ccnc2C)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7027 |
| logD: | -4.1539 |
| logSw: | -1.7281 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.242 |
| InChI Key: | KVCHEDDMHBSIRB-KNQAVFIVSA-N |