3-[2-(4-methoxyphenyl)-2-oxoethylidene]-7-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
Chemical Structure Depiction of
3-[2-(4-methoxyphenyl)-2-oxoethylidene]-7-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
3-[2-(4-methoxyphenyl)-2-oxoethylidene]-7-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | C301-0707 |
| Compound Name: | 3-[2-(4-methoxyphenyl)-2-oxoethylidene]-7-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one |
| Molecular Weight: | 527.54 |
| Molecular Formula: | C28 H25 N5 O6 |
| Smiles: | COc1ccc(cc1)C(/C=C1/C(Nc2cc(ccc2N1)C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5052 |
| logD: | 3.3681 |
| logSw: | -3.7856 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.185 |
| InChI Key: | FFIYIDSUBVZANS-UHFFFAOYSA-N |