2-(4-butylphenyl)-4-[(4-chloro-3-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(4-butylphenyl)-4-[(4-chloro-3-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one
2-(4-butylphenyl)-4-[(4-chloro-3-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0386 |
| Compound Name: | 2-(4-butylphenyl)-4-[(4-chloro-3-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(c(c2)[N+]([O-])=O)[Cl])\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 5.1653 |
| logD: | 4.8137 |
| logSw: | -5.7341 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.057 |
| InChI Key: | NJMRSKJZMTUORM-UHFFFAOYSA-N |