3-[2-(4-cyclohexylphenyl)-2-oxoethylidene]-6,7-dinitro-3,4-dihydroquinoxalin-2(1H)-one
Chemical Structure Depiction of
3-[2-(4-cyclohexylphenyl)-2-oxoethylidene]-6,7-dinitro-3,4-dihydroquinoxalin-2(1H)-one
3-[2-(4-cyclohexylphenyl)-2-oxoethylidene]-6,7-dinitro-3,4-dihydroquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | C301-0426 |
| Compound Name: | 3-[2-(4-cyclohexylphenyl)-2-oxoethylidene]-6,7-dinitro-3,4-dihydroquinoxalin-2(1H)-one |
| Molecular Weight: | 436.42 |
| Molecular Formula: | C22 H20 N4 O6 |
| Smiles: | C1CCC(CC1)c1ccc(cc1)C(/C=C1/C(Nc2cc(c(cc2N1)[N+]([O-])=O)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2097 |
| logD: | 1.9129 |
| logSw: | -5.3984 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.432 |
| InChI Key: | WMXSCGMKWKVBCV-UHFFFAOYSA-N |