rel-(3aR,6aS)-5-benzyl-2-{1-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]piperidin-4-yl}tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
Chemical Structure Depiction of
rel-(3aR,6aS)-5-benzyl-2-{1-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]piperidin-4-yl}tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
rel-(3aR,6aS)-5-benzyl-2-{1-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]piperidin-4-yl}tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
Compound characteristics
| Compound ID: | S805-0147 |
| Compound Name: | rel-(3aR,6aS)-5-benzyl-2-{1-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]piperidin-4-yl}tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C25 H31 N5 O3 |
| Smiles: | Cc1cnn(CCC(N2CCC(CC2)N2C([C@@H]3CN(Cc4ccccc4)C[C@@H]3C2=O)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.733 |
| logD: | -0.8167 |
| logSw: | -1.9335 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.363 |
| InChI Key: | TVAOGSODXAJAKP-VXKWHMMOSA-N |