2,4-dioxo-6-(3,4,5-trimethoxyphenyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
Chemical Structure Depiction of
2,4-dioxo-6-(3,4,5-trimethoxyphenyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
2,4-dioxo-6-(3,4,5-trimethoxyphenyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8018-2403 |
| Compound Name: | 2,4-dioxo-6-(3,4,5-trimethoxyphenyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile |
| Molecular Weight: | 327.29 |
| Molecular Formula: | C16 H13 N3 O5 |
| Smiles: | COc1cc(cc(c1OC)OC)C1C2(C#N)C(NC(C12C#N)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.7512 |
| logD: | 0.7489 |
| logSw: | -1.9261 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.346 |
| InChI Key: | GUKCWXGGDQYJEQ-UHFFFAOYSA-N |