1-[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(1H-imidazol-1-yl)propan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(1H-imidazol-1-yl)propan-1-one
1-[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(1H-imidazol-1-yl)propan-1-one
Compound characteristics
| Compound ID: | SB47-0634 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(1H-imidazol-1-yl)propan-1-one |
| Molecular Weight: | 419.49 |
| Molecular Formula: | C22 H25 N7 O2 |
| Smiles: | Cc1nc([C@]23CN(C[C@@H]3CN(C2)C(c2ccccc2)=O)C(CCn2ccnc2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.1621 |
| logD: | 0.0749 |
| logSw: | -1.4136 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.4 |
| InChI Key: | YWPHJHRMBMJQFV-GCJKJVERSA-N |