[rel-(3aR,6aR)-5-benzyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](1,3-dimethyl-1H-pyrazol-4-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](1,3-dimethyl-1H-pyrazol-4-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](1,3-dimethyl-1H-pyrazol-4-yl)methanone
Compound characteristics
Compound ID: | SB47-0520 |
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](1,3-dimethyl-1H-pyrazol-4-yl)methanone |
Molecular Weight: | 405.5 |
Molecular Formula: | C22 H27 N7 O |
Smiles: | Cc1c(cn(C)n1)C(N1C[C@@H]2CN(Cc3ccccc3)C[C@@]2(C1)c1nc(C)n[nH]1)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 1.0519 |
logD: | -3.6886 |
logSw: | -2.0542 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 69.373 |
InChI Key: | PWEXQCMRWUYRGJ-GCJKJVERSA-N |