[rel-(3aR,6aR)-5-benzyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](6-methylpyridin-3-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-5-benzyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](6-methylpyridin-3-yl)methanone
[rel-(3aR,6aR)-5-benzyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](6-methylpyridin-3-yl)methanone
Compound characteristics
| Compound ID: | SB47-0538 |
| Compound Name: | [rel-(3aR,6aR)-5-benzyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](6-methylpyridin-3-yl)methanone |
| Molecular Weight: | 402.5 |
| Molecular Formula: | C23 H26 N6 O |
| Smiles: | Cc1ccc(cn1)C(N1C[C@@H]2CN(Cc3ccccc3)C[C@@]2(C1)c1nc(C)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8608 |
| logD: | -2.8797 |
| logSw: | -2.1086 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.155 |
| InChI Key: | LVRWSJGYNNOALH-OFNKIYASSA-N |