2-(4-butylphenyl)-4-[(2-chloro-4-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(4-butylphenyl)-4-[(2-chloro-4-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one
2-(4-butylphenyl)-4-[(2-chloro-4-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0372 |
| Compound Name: | 2-(4-butylphenyl)-4-[(2-chloro-4-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 399.83 |
| Molecular Formula: | C20 H18 Cl N3 O4 |
| Smiles: | CCCCc1ccc(cc1)C1=NC(=C/Nc2ccc(cc2[Cl])[N+]([O-])=O)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 5.5392 |
| logD: | 4.924 |
| logSw: | -5.9752 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.66 |
| InChI Key: | BSLKDRUDKKZVHY-UHFFFAOYSA-N |