methyl 3-(dicyanomethylidene)-1-methyl-5-oxo-8-phenyl-2,6-diazabicyclo[2.2.2]octane-7-carboxylate
Chemical Structure Depiction of
methyl 3-(dicyanomethylidene)-1-methyl-5-oxo-8-phenyl-2,6-diazabicyclo[2.2.2]octane-7-carboxylate
methyl 3-(dicyanomethylidene)-1-methyl-5-oxo-8-phenyl-2,6-diazabicyclo[2.2.2]octane-7-carboxylate
Compound characteristics
| Compound ID: | 8020-6814 |
| Compound Name: | methyl 3-(dicyanomethylidene)-1-methyl-5-oxo-8-phenyl-2,6-diazabicyclo[2.2.2]octane-7-carboxylate |
| Molecular Weight: | 336.35 |
| Molecular Formula: | C18 H16 N4 O3 |
| Smiles: | CC12C(C(C(C(=C(C#N)C#N)N1)C(N2)=O)c1ccccc1)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4955 |
| logD: | 0.8094 |
| logSw: | -1.742 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.791 |
| InChI Key: | XKGJGQSDBLFQSR-UHFFFAOYSA-N |