4-[(2-methyl-5-nitroanilino)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(2-methyl-5-nitroanilino)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one
4-[(2-methyl-5-nitroanilino)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0267 |
| Compound Name: | 4-[(2-methyl-5-nitroanilino)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 413.39 |
| Molecular Formula: | C20 H19 N3 O7 |
| Smiles: | Cc1ccc(cc1N/C=C1/C(=O)OC(c2cc(c(c(c2)OC)OC)OC)=N1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8406 |
| logD: | 2.8259 |
| logSw: | -3.508 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.638 |
| InChI Key: | WHSKEYIHPGUHBQ-UHFFFAOYSA-N |