4-[(4-methoxy-2-nitroanilino)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(4-methoxy-2-nitroanilino)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5(4H)-one
4-[(4-methoxy-2-nitroanilino)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0476 |
| Compound Name: | 4-[(4-methoxy-2-nitroanilino)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 369.33 |
| Molecular Formula: | C18 H15 N3 O6 |
| Smiles: | COc1cccc(c1)C1=NC(=C/Nc2ccc(cc2[N+]([O-])=O)OC)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 3.3713 |
| logD: | 3.1369 |
| logSw: | -3.9654 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.447 |
| InChI Key: | OLJNTUNDKQDKOP-UHFFFAOYSA-N |