1-[rel-(3aR,6aR)-5-(2,4-dimethylbenzoyl)-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-(2,4-dimethylbenzoyl)-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-(2,4-dimethylbenzoyl)-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: | SB47-0149 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-(2,4-dimethylbenzoyl)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one |
| Molecular Weight: | 381.48 |
| Molecular Formula: | C21 H27 N5 O2 |
| Smiles: | CCC(N1C[C@H]2CN(C[C@]2(C1)c1nc(C)n[nH]1)C(c1ccc(C)cc1C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2317 |
| logD: | 2.2313 |
| logSw: | -2.8987 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.871 |
| InChI Key: | KXGMZYYCGIYXFD-IERDGZPVSA-N |