1-[rel-(3aR,6aR)-5-benzyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-benzyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
1-[rel-(3aR,6aR)-5-benzyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
Compound characteristics
| Compound ID: | SB47-0502 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-benzyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one |
| Molecular Weight: | 434.54 |
| Molecular Formula: | C24 H30 N6 O2 |
| Smiles: | Cc1c(CCC(N2C[C@@H]3CN(Cc4ccccc4)C[C@@]3(C2)c2nc(C)n[nH]2)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0448 |
| logD: | -2.8119 |
| logSw: | -2.4505 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.722 |
| InChI Key: | HBZFIKVVPSXGGK-YKSBVNFPSA-N |