[rel-(3aR,6aR)-5-(2,4-dimethylbenzoyl)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](pyridin-3-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-5-(2,4-dimethylbenzoyl)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](pyridin-3-yl)methanone
[rel-(3aR,6aR)-5-(2,4-dimethylbenzoyl)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](pyridin-3-yl)methanone
Compound characteristics
| Compound ID: | SB47-0734 |
| Compound Name: | [rel-(3aR,6aR)-5-(2,4-dimethylbenzoyl)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](pyridin-3-yl)methanone |
| Molecular Weight: | 430.51 |
| Molecular Formula: | C24 H26 N6 O2 |
| Smiles: | Cc1ccc(C(N2C[C@@H]3CN(C[C@@]3(C2)c2nc(C)n[nH]2)C(c2cccnc2)=O)=O)c(C)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6957 |
| logD: | 1.6953 |
| logSw: | -2.0829 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.645 |
| InChI Key: | UBYOZQOSNMBQKS-DVECYGJZSA-N |