5-hydroxy-3-(4-methoxyphenyl)-7-oxo-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
Chemical Structure Depiction of
5-hydroxy-3-(4-methoxyphenyl)-7-oxo-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
5-hydroxy-3-(4-methoxyphenyl)-7-oxo-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
Compound characteristics
| Compound ID: | 8011-1012 |
| Compound Name: | 5-hydroxy-3-(4-methoxyphenyl)-7-oxo-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile |
| Molecular Weight: | 322.32 |
| Molecular Formula: | C17 H14 N4 O3 |
| Smiles: | COc1ccc(cc1)C1CC2(CC(C#N)(C(N2)=O)C1(C#N)C#N)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.9909 |
| logD: | 0.9907 |
| logSw: | -1.964 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.823 |
| InChI Key: | TUBSHGMYUSIEGO-UHFFFAOYSA-N |