[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-dimethyl-1,3-thiazol-5-yl)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-dimethyl-1,3-thiazol-5-yl)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-dimethyl-1,3-thiazol-5-yl)methanone
Compound characteristics
| Compound ID: | SB47-0565 |
| 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-dimethyl-1,3-thiazol-5-yl)methanone |
| Molecular Weight: | 422.55 |
| Molecular Formula: | C22 H26 N6 O S |
| Smiles: | Cc1c(C(N2C[C@@H]3CN(Cc4ccccc4)C[C@@]3(C2)c2nc(C)n[nH]2)=O)sc(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5412 |
| logD: | -2.1993 |
| logSw: | -2.6971 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.6 |
| InChI Key: | LZLVXUHTCCTXBA-GCJKJVERSA-N |