ethyl 2,4-dicyano-3-oxo-1-phenyl-1,2,3,5,6,7,8,8a-octahydronaphthalene-2-carboxylate
Chemical Structure Depiction of
ethyl 2,4-dicyano-3-oxo-1-phenyl-1,2,3,5,6,7,8,8a-octahydronaphthalene-2-carboxylate
ethyl 2,4-dicyano-3-oxo-1-phenyl-1,2,3,5,6,7,8,8a-octahydronaphthalene-2-carboxylate
Compound characteristics
| Compound ID: | 8011-4696 |
| Compound Name: | ethyl 2,4-dicyano-3-oxo-1-phenyl-1,2,3,5,6,7,8,8a-octahydronaphthalene-2-carboxylate |
| Molecular Weight: | 348.4 |
| Molecular Formula: | C21 H20 N2 O3 |
| Smiles: | CCOC(C1(C#N)C(C2CCCCC2=C(C#N)C1=O)c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7947 |
| logD: | 3.7947 |
| logSw: | -3.9426 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.092 |
| InChI Key: | JPWFTLNBFYFNII-UHFFFAOYSA-N |