[rel-(3aR,6aR)-5-benzyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](2,4-dimethylphenyl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-5-benzyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](2,4-dimethylphenyl)methanone
[rel-(3aR,6aR)-5-benzyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](2,4-dimethylphenyl)methanone
Compound characteristics
| Compound ID: | SB47-0542 |
| Compound Name: | [rel-(3aR,6aR)-5-benzyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](2,4-dimethylphenyl)methanone |
| Molecular Weight: | 415.54 |
| Molecular Formula: | C25 H29 N5 O |
| Smiles: | Cc1ccc(C(N2C[C@@H]3CN(Cc4ccccc4)C[C@@]3(C2)c2nc(C)n[nH]2)=O)c(C)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5415 |
| logD: | -1.199 |
| logSw: | -3.5879 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.211 |
| InChI Key: | RUIXTEVECSMRCN-BWKNWUBXSA-N |