4-[(2,4-dibromoanilino)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(2,4-dibromoanilino)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5(4H)-one
4-[(2,4-dibromoanilino)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0484 |
| Compound Name: | 4-[(2,4-dibromoanilino)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 452.1 |
| Molecular Formula: | C17 H12 Br2 N2 O3 |
| Smiles: | COc1cccc(c1)C1=NC(=C/Nc2ccc(cc2[Br])[Br])\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 4.3801 |
| logD: | 4.368 |
| logSw: | -4.5029 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.822 |
| InChI Key: | YIOCXJGSNBWSDM-UHFFFAOYSA-N |