1-[rel-(3aR,6aR)-5-(furan-3-carbonyl)-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-(furan-3-carbonyl)-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-(furan-3-carbonyl)-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: | SB47-0137 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-(furan-3-carbonyl)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one |
| Molecular Weight: | 343.38 |
| Molecular Formula: | C17 H21 N5 O3 |
| Smiles: | CCC(N1C[C@H]2CN(C[C@]2(C1)c1nc(C)n[nH]1)C(c1ccoc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5411 |
| logD: | 0.5408 |
| logSw: | -1.9359 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.674 |
| InChI Key: | VSMUDBXUXOYFKJ-DYVFJYSZSA-N |