[rel-(3aR,6aR)-5-(2-ethylbutyl)-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-ethylbutyl)-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-ethylbutyl)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone
Compound characteristics
| Compound ID: | SB47-0999 |
| Compound Name: | [rel-(3aR,6aR)-5-(2-ethylbutyl)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone |
| Molecular Weight: | 381.52 |
| Molecular Formula: | C22 H31 N5 O |
| Smiles: | CCC(CC)CN1C[C@@H]2CN(C[C@@]2(C1)c1nc(C)n[nH]1)C(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.256 |
| logD: | -2.5687 |
| logSw: | -3.2305 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.483 |
| InChI Key: | VYFTXHIBMJZZJX-KNQAVFIVSA-N |