4-[(2-methoxy-4-nitroanilino)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(2-methoxy-4-nitroanilino)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one
4-[(2-methoxy-4-nitroanilino)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-1089 |
| Compound Name: | 4-[(2-methoxy-4-nitroanilino)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 429.38 |
| Molecular Formula: | C20 H19 N3 O8 |
| Smiles: | COc1cc(ccc1N\C=C1/C(=O)OC(c2cc(c(c(c2)OC)OC)OC)=N1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5858 |
| logD: | 2.2561 |
| logSw: | -3.2402 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.269 |
| InChI Key: | HWNQIVCXDJQAHQ-UHFFFAOYSA-N |