6-(3,4-dimethoxyphenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
Chemical Structure Depiction of
6-(3,4-dimethoxyphenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
6-(3,4-dimethoxyphenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8018-2405 |
| Compound Name: | 6-(3,4-dimethoxyphenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile |
| Molecular Weight: | 297.27 |
| Molecular Formula: | C15 H11 N3 O4 |
| Smiles: | COc1ccc(cc1OC)C1C2(C#N)C(NC(C12C#N)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.6839 |
| logD: | 0.6816 |
| logSw: | -1.9969 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.629 |
| InChI Key: | ORGUJBMWJOLBHO-UHFFFAOYSA-N |