2-methoxy-5-{[2-(4-methoxy-3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
Chemical Structure Depiction of
2-methoxy-5-{[2-(4-methoxy-3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
2-methoxy-5-{[2-(4-methoxy-3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
Compound characteristics
| Compound ID: | 2113-0162 |
| Compound Name: | 2-methoxy-5-{[2-(4-methoxy-3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate |
| Molecular Weight: | 412.35 |
| Molecular Formula: | C20 H16 N2 O8 |
| Smiles: | CC(=O)Oc1cc(/C=C2/C(=O)OC(c3ccc(c(c3)[N+]([O-])=O)OC)=N2)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.4336 |
| logD: | 2.4336 |
| logSw: | -2.779 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 99.555 |
| InChI Key: | CGCNBCYHPFXIHS-UHFFFAOYSA-N |