3-[2-(2,4-dimethoxyphenyl)-2-oxoethylidene]-6,7-dinitro-3,4-dihydroquinoxalin-2(1H)-one
Chemical Structure Depiction of
3-[2-(2,4-dimethoxyphenyl)-2-oxoethylidene]-6,7-dinitro-3,4-dihydroquinoxalin-2(1H)-one
3-[2-(2,4-dimethoxyphenyl)-2-oxoethylidene]-6,7-dinitro-3,4-dihydroquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | C301-0628 |
| Compound Name: | 3-[2-(2,4-dimethoxyphenyl)-2-oxoethylidene]-6,7-dinitro-3,4-dihydroquinoxalin-2(1H)-one |
| Molecular Weight: | 414.33 |
| Molecular Formula: | C18 H14 N4 O8 |
| Smiles: | COc1ccc(C(\C=C2/C(Nc3cc(c(cc3N2)[N+]([O-])=O)[N+]([O-])=O)=O)=O)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 2.9225 |
| logD: | -0.3742 |
| logSw: | -3.7406 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 130.686 |
| InChI Key: | REVZYQFRTWLSOG-UHFFFAOYSA-N |