4-{[2-(4-chloro-3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-ethoxyphenyl acetate
Chemical Structure Depiction of
4-{[2-(4-chloro-3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-ethoxyphenyl acetate
4-{[2-(4-chloro-3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-ethoxyphenyl acetate
Compound characteristics
| Compound ID: | 2062-0847 |
| Compound Name: | 4-{[2-(4-chloro-3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-ethoxyphenyl acetate |
| Molecular Weight: | 430.8 |
| Molecular Formula: | C20 H15 Cl N2 O7 |
| Smiles: | CCOc1cc(/C=C2/C(=O)OC(c3ccc(c(c3)[N+]([O-])=O)[Cl])=N2)ccc1OC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1449 |
| logD: | 3.1449 |
| logSw: | -3.7844 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.504 |
| InChI Key: | FXZBPMIUAAXSAW-UHFFFAOYSA-N |