2-{[2-(2-chloro-5-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-5-ethoxyphenyl acetate
Chemical Structure Depiction of
2-{[2-(2-chloro-5-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-5-ethoxyphenyl acetate
2-{[2-(2-chloro-5-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-5-ethoxyphenyl acetate
Compound characteristics
| Compound ID: | 2192-1353 |
| Compound Name: | 2-{[2-(2-chloro-5-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-5-ethoxyphenyl acetate |
| Molecular Weight: | 430.8 |
| Molecular Formula: | C20 H15 Cl N2 O7 |
| Smiles: | CCOc1ccc(/C=C2/C(=O)OC(c3cc(ccc3[Cl])[N+]([O-])=O)=N2)c(c1)OC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7751 |
| logD: | 3.7751 |
| logSw: | -4.3503 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.718 |
| InChI Key: | FKZHOGQHYOKAAR-UHFFFAOYSA-N |