4-[(4-chloro-3-nitroanilino)methylidene]-2-(naphthalen-1-yl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(4-chloro-3-nitroanilino)methylidene]-2-(naphthalen-1-yl)-1,3-oxazol-5(4H)-one
4-[(4-chloro-3-nitroanilino)methylidene]-2-(naphthalen-1-yl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0592 |
| Compound Name: | 4-[(4-chloro-3-nitroanilino)methylidene]-2-(naphthalen-1-yl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 393.78 |
| Molecular Formula: | C20 H12 Cl N3 O4 |
| Smiles: | C(=C1/C(=O)OC(c2cccc3ccccc23)=N1)/Nc1ccc(c(c1)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.0769 |
| logD: | 3.7253 |
| logSw: | -4.4716 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.786 |
| InChI Key: | SOKZVSMNGOEALU-UHFFFAOYSA-N |