4-{4-[rel-(3aR,6aS)-5-benzyl-1,3-dioxohexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]piperidine-1-carbonyl}benzonitrile
Chemical Structure Depiction of
4-{4-[rel-(3aR,6aS)-5-benzyl-1,3-dioxohexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]piperidine-1-carbonyl}benzonitrile
4-{4-[rel-(3aR,6aS)-5-benzyl-1,3-dioxohexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]piperidine-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | S805-0016 |
| Compound Name: | 4-{4-[rel-(3aR,6aS)-5-benzyl-1,3-dioxohexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]piperidine-1-carbonyl}benzonitrile |
| Molecular Weight: | 442.52 |
| Molecular Formula: | C26 H26 N4 O3 |
| Smiles: | C1CN(CCC1N1C([C@@H]2CN(Cc3ccccc3)C[C@@H]2C1=O)=O)C(c1ccc(C#N)cc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5105 |
| logD: | -0.0393 |
| logSw: | -2.2131 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.191 |
| InChI Key: | XHYOUYRWQVNKJO-GOTSBHOMSA-N |