4-[(4-methoxy-2-nitroanilino)methylidene]-2-(naphthalen-1-yl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(4-methoxy-2-nitroanilino)methylidene]-2-(naphthalen-1-yl)-1,3-oxazol-5(4H)-one
4-[(4-methoxy-2-nitroanilino)methylidene]-2-(naphthalen-1-yl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0579 |
| Compound Name: | 4-[(4-methoxy-2-nitroanilino)methylidene]-2-(naphthalen-1-yl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 389.37 |
| Molecular Formula: | C21 H15 N3 O5 |
| Smiles: | COc1ccc(c(c1)[N+]([O-])=O)N\C=C1/C(=O)OC(c2cccc3ccccc23)=N1 |
| Stereo: | ACHIRAL |
| logP: | 4.2157 |
| logD: | 3.9813 |
| logSw: | -4.4524 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.632 |
| InChI Key: | NJHJZTOHLORWHI-UHFFFAOYSA-N |