[rel-(3aR,6aR)-5-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-5-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone
[rel-(3aR,6aR)-5-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone
Compound characteristics
| Compound ID: | SB47-1000 |
| Compound Name: | [rel-(3aR,6aR)-5-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone |
| Molecular Weight: | 429.52 |
| Molecular Formula: | C25 H27 N5 O2 |
| Smiles: | Cc1nc([C@]23CN(Cc4ccc5c(CCO5)c4)C[C@@H]3CN(C2)C(c2ccccc2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4102 |
| logD: | -3.0974 |
| logSw: | -2.9069 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.449 |
| InChI Key: | GJYNWOLUOBMCHX-BWKNWUBXSA-N |