1-benzyl-3-[2-(4-methoxyphenyl)-2-oxoethylidene]-2-oxo-1,2,3,4-tetrahydroquinoxaline-6,7-dicarbonitrile
Chemical Structure Depiction of
1-benzyl-3-[2-(4-methoxyphenyl)-2-oxoethylidene]-2-oxo-1,2,3,4-tetrahydroquinoxaline-6,7-dicarbonitrile
1-benzyl-3-[2-(4-methoxyphenyl)-2-oxoethylidene]-2-oxo-1,2,3,4-tetrahydroquinoxaline-6,7-dicarbonitrile
Compound characteristics
| Compound ID: | 8020-4110 |
| Compound Name: | 1-benzyl-3-[2-(4-methoxyphenyl)-2-oxoethylidene]-2-oxo-1,2,3,4-tetrahydroquinoxaline-6,7-dicarbonitrile |
| Molecular Weight: | 434.45 |
| Molecular Formula: | C26 H18 N4 O3 |
| Smiles: | COc1ccc(cc1)C(\C=C1/C(N(Cc2ccccc2)c2cc(C#N)c(C#N)cc2N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4228 |
| logD: | 2.849 |
| logSw: | -4.3406 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.232 |
| InChI Key: | JGNHZDAXISTVQI-UHFFFAOYSA-N |