2-(4-butoxyphenyl)-4-[(2-chloro-5-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(4-butoxyphenyl)-4-[(2-chloro-5-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one
2-(4-butoxyphenyl)-4-[(2-chloro-5-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0995 |
| Compound Name: | 2-(4-butoxyphenyl)-4-[(2-chloro-5-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 415.83 |
| Molecular Formula: | C20 H18 Cl N3 O5 |
| Smiles: | CCCCOc1ccc(cc1)C1=NC(=C/Nc2cc(ccc2[Cl])[N+]([O-])=O)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 4.8232 |
| logD: | 4.4205 |
| logSw: | -5.0616 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.078 |
| InChI Key: | WPESVIULDMIOPO-UHFFFAOYSA-N |