4-[(2-bromoanilino)methylidene]-2-(4-butoxyphenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(2-bromoanilino)methylidene]-2-(4-butoxyphenyl)-1,3-oxazol-5(4H)-one
4-[(2-bromoanilino)methylidene]-2-(4-butoxyphenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0996 |
| Compound Name: | 4-[(2-bromoanilino)methylidene]-2-(4-butoxyphenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 415.29 |
| Molecular Formula: | C20 H19 Br N2 O3 |
| Smiles: | CCCCOc1ccc(cc1)C1=NC(=C/Nc2ccccc2[Br])\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 4.9469 |
| logD: | 4.9467 |
| logSw: | -4.5583 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.696 |
| InChI Key: | HPWUBSBCARAMAK-UHFFFAOYSA-N |