4,4'-(1,4-phenylenedimethanylylidene)bis[2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one]
Chemical Structure Depiction of
4,4'-(1,4-phenylenedimethanylylidene)bis[2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one]
4,4'-(1,4-phenylenedimethanylylidene)bis[2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one]
Compound characteristics
| Compound ID: | 8006-1832 |
| Compound Name: | 4,4'-(1,4-phenylenedimethanylylidene)bis[2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one] |
| Molecular Weight: | 538.47 |
| Molecular Formula: | C28 H18 N4 O8 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C1=NC(=C/c2ccc(/C=C3/C(=O)OC(c4ccc(C)c(c4)[N+]([O-])=O)=N3)cc2)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 5.0507 |
| logD: | 5.0507 |
| logSw: | -4.8635 |
| Hydrogen bond acceptors count: | 16 |
| Polar surface area: | 126.674 |
| InChI Key: | KNZOPUCMXBIYOP-UHFFFAOYSA-N |