3-[2-(3-methoxyphenyl)-2-oxoethylidene]-6,7-dinitro-3,4-dihydroquinoxalin-2(1H)-one
Chemical Structure Depiction of
3-[2-(3-methoxyphenyl)-2-oxoethylidene]-6,7-dinitro-3,4-dihydroquinoxalin-2(1H)-one
3-[2-(3-methoxyphenyl)-2-oxoethylidene]-6,7-dinitro-3,4-dihydroquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | C301-0627 |
| Compound Name: | 3-[2-(3-methoxyphenyl)-2-oxoethylidene]-6,7-dinitro-3,4-dihydroquinoxalin-2(1H)-one |
| Molecular Weight: | 384.3 |
| Molecular Formula: | C17 H12 N4 O7 |
| Smiles: | COc1cccc(c1)C(\C=C1/C(Nc2cc(c(cc2N1)[N+]([O-])=O)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0022 |
| logD: | -0.2945 |
| logSw: | -3.6533 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 123.056 |
| InChI Key: | KUSPIEVTHDKZIK-UHFFFAOYSA-N |