1-[rel-(3aR,6aR)-3a-[(dimethylamino)methyl]-5-{5-[(4-methyl-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methoxyethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-3a-[(dimethylamino)methyl]-5-{5-[(4-methyl-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methoxyethan-1-one
1-[rel-(3aR,6aR)-3a-[(dimethylamino)methyl]-5-{5-[(4-methyl-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methoxyethan-1-one
Compound characteristics
| Compound ID: | S986-0494 |
| Compound Name: | 1-[rel-(3aR,6aR)-3a-[(dimethylamino)methyl]-5-{5-[(4-methyl-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methoxyethan-1-one |
| Molecular Weight: | 430.51 |
| Molecular Formula: | C21 H30 N6 O4 |
| Smiles: | Cc1cnn(Cc2cc(C(N3C[C@H]4CN(C[C@@]4(CN(C)C)C3)C(COC)=O)=O)no2)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.438 |
| logD: | -3.5542 |
| logSw: | -0.5459 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.267 |
| InChI Key: | KUTCDBNMKQEANT-KKSFZXQISA-N |