3-[2-(3-methoxyphenyl)-2-oxoethylidene]-7-nitro-3,4-dihydroquinoxalin-2(1H)-one
Chemical Structure Depiction of
3-[2-(3-methoxyphenyl)-2-oxoethylidene]-7-nitro-3,4-dihydroquinoxalin-2(1H)-one
3-[2-(3-methoxyphenyl)-2-oxoethylidene]-7-nitro-3,4-dihydroquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | C301-0484 |
| Compound Name: | 3-[2-(3-methoxyphenyl)-2-oxoethylidene]-7-nitro-3,4-dihydroquinoxalin-2(1H)-one |
| Molecular Weight: | 339.31 |
| Molecular Formula: | C17 H13 N3 O5 |
| Smiles: | COc1cccc(c1)C(/C=C1/C(Nc2cc(ccc2N1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8622 |
| logD: | 2.3414 |
| logSw: | -3.5931 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.276 |
| InChI Key: | OPVYAKTXEXMWBY-UHFFFAOYSA-N |