3-{[5-(2-methoxyethyl)-4,6-dioxohexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[5-(2-methoxyethyl)-4,6-dioxohexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]methyl}benzonitrile
3-{[5-(2-methoxyethyl)-4,6-dioxohexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | S296-0726 |
| Compound Name: | 3-{[5-(2-methoxyethyl)-4,6-dioxohexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]methyl}benzonitrile |
| Molecular Weight: | 313.35 |
| Molecular Formula: | C17 H19 N3 O3 |
| Smiles: | COCCN1C([C@@H]2CN(Cc3cccc(C#N)c3)C[C@@H]2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.0374 |
| logD: | -0.2983 |
| logSw: | -1.7387 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.105 |
| InChI Key: | BVTNEVASAOYWBR-GJZGRUSLSA-N |