5-amino-3-(4-methoxyphenyl)-4,8-dimethyl-7-oxo-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
Chemical Structure Depiction of
5-amino-3-(4-methoxyphenyl)-4,8-dimethyl-7-oxo-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
5-amino-3-(4-methoxyphenyl)-4,8-dimethyl-7-oxo-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
Compound characteristics
| Compound ID: | 8011-4746 |
| Compound Name: | 5-amino-3-(4-methoxyphenyl)-4,8-dimethyl-7-oxo-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile |
| Molecular Weight: | 349.39 |
| Molecular Formula: | C19 H19 N5 O2 |
| Smiles: | CC1C(c2ccc(cc2)OC)C(C#N)(C#N)C2(C#N)C(C)C1(N)NC2=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.718 |
| logD: | 1.718 |
| logSw: | -2.1361 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.955 |
| InChI Key: | WACMRRYCGGTTAP-UHFFFAOYSA-N |