5-acetyl-2-amino-2,4-dimethoxy-4-methyl-3-oxabicyclo[3.1.0]hexane-1,6,6-tricarbonitrile
Chemical Structure Depiction of
5-acetyl-2-amino-2,4-dimethoxy-4-methyl-3-oxabicyclo[3.1.0]hexane-1,6,6-tricarbonitrile
5-acetyl-2-amino-2,4-dimethoxy-4-methyl-3-oxabicyclo[3.1.0]hexane-1,6,6-tricarbonitrile
Compound characteristics
| Compound ID: | 8013-0927 |
| Compound Name: | 5-acetyl-2-amino-2,4-dimethoxy-4-methyl-3-oxabicyclo[3.1.0]hexane-1,6,6-tricarbonitrile |
| Molecular Weight: | 290.28 |
| Molecular Formula: | C13 H14 N4 O4 |
| Smiles: | CC(C12C(C#N)(C#N)C1(C#N)C(N)(OC)OC2(C)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.0872 |
| logD: | 0.0872 |
| logSw: | 0.3528 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.794 |
| InChI Key: | YUMLMQIZNPGHNN-UHFFFAOYSA-N |