2-(naphthalen-1-yl)-4-[(3-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(naphthalen-1-yl)-4-[(3-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one
2-(naphthalen-1-yl)-4-[(3-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0574 |
| Compound Name: | 2-(naphthalen-1-yl)-4-[(3-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 359.34 |
| Molecular Formula: | C20 H13 N3 O4 |
| Smiles: | C(=C1/C(=O)OC(c2cccc3ccccc23)=N1)/Nc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8699 |
| logD: | 3.8614 |
| logSw: | -4.1951 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.087 |
| InChI Key: | IORYBZDTTQRRNE-UHFFFAOYSA-N |