3-[(5-methyl-4,6-dioxohexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)methyl]benzonitrile
Chemical Structure Depiction of
3-[(5-methyl-4,6-dioxohexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)methyl]benzonitrile
3-[(5-methyl-4,6-dioxohexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)methyl]benzonitrile
Compound characteristics
| Compound ID: | S296-1856 |
| Compound Name: | 3-[(5-methyl-4,6-dioxohexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)methyl]benzonitrile |
| Molecular Weight: | 269.3 |
| Molecular Formula: | C15 H15 N3 O2 |
| Smiles: | CN1C([C@@H]2CN(Cc3cccc(C#N)c3)C[C@@H]2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0687 |
| logD: | -0.306 |
| logSw: | -1.743 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.55 |
| InChI Key: | QZOFIAFVZROSOK-STQMWFEESA-N |