ethyl 3-(dicyanomethylidene)-8-[4-(dimethylamino)phenyl]-1-methyl-5-oxo-2,6-diazabicyclo[2.2.2]octane-7-carboxylate
Chemical Structure Depiction of
ethyl 3-(dicyanomethylidene)-8-[4-(dimethylamino)phenyl]-1-methyl-5-oxo-2,6-diazabicyclo[2.2.2]octane-7-carboxylate
ethyl 3-(dicyanomethylidene)-8-[4-(dimethylamino)phenyl]-1-methyl-5-oxo-2,6-diazabicyclo[2.2.2]octane-7-carboxylate
Compound characteristics
| Compound ID: | 8020-6798 |
| Compound Name: | ethyl 3-(dicyanomethylidene)-8-[4-(dimethylamino)phenyl]-1-methyl-5-oxo-2,6-diazabicyclo[2.2.2]octane-7-carboxylate |
| Molecular Weight: | 393.44 |
| Molecular Formula: | C21 H23 N5 O3 |
| Smiles: | CCOC(C1C(C2C(=C(C#N)C#N)NC1(C)NC2=O)c1ccc(cc1)N(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9867 |
| logD: | 1.3006 |
| logSw: | -2.5212 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.176 |
| InChI Key: | ZSXYJYXZWGNNMC-UHFFFAOYSA-N |