1-[rel-(3aR,6aR)-3a-(hydroxymethyl)-5-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-3a-(hydroxymethyl)-5-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one
1-[rel-(3aR,6aR)-3a-(hydroxymethyl)-5-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S987-0580 |
| Compound Name: | 1-[rel-(3aR,6aR)-3a-(hydroxymethyl)-5-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methylpropan-1-one |
| Molecular Weight: | 401.46 |
| Molecular Formula: | C20 H27 N5 O4 |
| Smiles: | CC(C)C(N1C[C@@H]2CN(C[C@@]2(C1)CO)C(c1c(Cn2cccn2)c(C)on1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.13 |
| logD: | 0.13 |
| logSw: | -1.21 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 138.64 |
| InChI Key: | KQAIEQQVTYMAIP-YWZLYKJASA-N |