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-(4-methoxyphenyl)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-(4-methoxyphenyl)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-(4-methoxyphenyl)propan-1-one
Compound characteristics
| Compound ID: | SB47-0534 |
| 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-(4-methoxyphenyl)propan-1-one |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C26 H31 N5 O2 |
| Smiles: | Cc1nc([C@@]23CN(Cc4ccccc4)C[C@H]3CN(C2)C(CCc2ccc(cc2)OC)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1186 |
| logD: | -1.7381 |
| logSw: | -3.1946 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.228 |
| InChI Key: | CHHGXRXRTLLUJQ-GJZUVCINSA-N |