1-[rel-(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(pyridine-3-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-phenylpropan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(pyridine-3-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-phenylpropan-1-one
1-[rel-(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(pyridine-3-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-phenylpropan-1-one
Compound characteristics
| Compound ID: | SB47-0692 |
| Compound Name: | 1-[rel-(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(pyridine-3-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-phenylpropan-1-one |
| Molecular Weight: | 430.51 |
| Molecular Formula: | C24 H26 N6 O2 |
| Smiles: | Cc1nc([C@]23CN(C[C@@H]3CN(C2)C(c2cccnc2)=O)C(CCc2ccccc2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2905 |
| logD: | 1.2901 |
| logSw: | -1.3109 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.117 |
| InChI Key: | CZCSDVKDEFXVLG-YKSBVNFPSA-N |