2-(4-butylphenyl)-4-[(2-methyl-5-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(4-butylphenyl)-4-[(2-methyl-5-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one
2-(4-butylphenyl)-4-[(2-methyl-5-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0370 |
| Compound Name: | 2-(4-butylphenyl)-4-[(2-methyl-5-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 379.41 |
| Molecular Formula: | C21 H21 N3 O4 |
| Smiles: | CCCCc1ccc(cc1)C1=NC(=C\Nc2cc(ccc2C)[N+]([O-])=O)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 5.1778 |
| logD: | 5.1631 |
| logSw: | -5.0632 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.66 |
| InChI Key: | MWCSNVDWEKRJKJ-UHFFFAOYSA-N |