ethyl 8-(2-chlorophenyl)-3-(dicyanomethylidene)-1-methyl-5-oxo-2,6-diazabicyclo[2.2.2]octane-7-carboxylate
Chemical Structure Depiction of
ethyl 8-(2-chlorophenyl)-3-(dicyanomethylidene)-1-methyl-5-oxo-2,6-diazabicyclo[2.2.2]octane-7-carboxylate
ethyl 8-(2-chlorophenyl)-3-(dicyanomethylidene)-1-methyl-5-oxo-2,6-diazabicyclo[2.2.2]octane-7-carboxylate
Compound characteristics
| Compound ID: | 8020-6797 |
| Compound Name: | ethyl 8-(2-chlorophenyl)-3-(dicyanomethylidene)-1-methyl-5-oxo-2,6-diazabicyclo[2.2.2]octane-7-carboxylate |
| Molecular Weight: | 384.82 |
| Molecular Formula: | C19 H17 Cl N4 O3 |
| Smiles: | CCOC(C1C(C2C(=C(C#N)C#N)NC1(C)NC2=O)c1ccccc1[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4728 |
| logD: | 1.7867 |
| logSw: | -3.2674 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.371 |
| InChI Key: | FDDGIIBOFNSDDD-UHFFFAOYSA-N |