N-[2-(4-chlorophenyl)ethyl]-2-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-2-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
N-[2-(4-chlorophenyl)ethyl]-2-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
Compound characteristics
| Compound ID: | C301-0999 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-2-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide |
| Molecular Weight: | 505.96 |
| Molecular Formula: | C27 H24 Cl N3 O5 |
| Smiles: | COc1ccc(cc1OC)C(/C=C1/C(Nc2cc(ccc2N1)C(NCCc1ccc(cc1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7357 |
| logD: | 3.5986 |
| logSw: | -4.3981 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.866 |
| InChI Key: | KZYIBLIRINTHEZ-UHFFFAOYSA-N |