6-(3,4-dimethoxybenzoyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
Chemical Structure Depiction of
6-(3,4-dimethoxybenzoyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
6-(3,4-dimethoxybenzoyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8020-0564 |
| Compound Name: | 6-(3,4-dimethoxybenzoyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile |
| Molecular Weight: | 325.28 |
| Molecular Formula: | C16 H11 N3 O5 |
| Smiles: | COc1ccc(cc1OC)C(C1C2(C#N)C(NC(C12C#N)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.3123 |
| logD: | -0.8524 |
| logSw: | -1.9865 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.368 |
| InChI Key: | IVUCFDUKOWINOW-UHFFFAOYSA-N |