4-[(2-bromo-4-methylanilino)methylidene]-2-(4-butoxyphenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(2-bromo-4-methylanilino)methylidene]-2-(4-butoxyphenyl)-1,3-oxazol-5(4H)-one
4-[(2-bromo-4-methylanilino)methylidene]-2-(4-butoxyphenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0989 |
| Compound Name: | 4-[(2-bromo-4-methylanilino)methylidene]-2-(4-butoxyphenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 429.31 |
| Molecular Formula: | C21 H21 Br N2 O3 |
| Smiles: | CCCCOc1ccc(cc1)C1=NC(=C/Nc2ccc(C)cc2[Br])\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 5.4655 |
| logD: | 5.4653 |
| logSw: | -5.2553 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.696 |
| InChI Key: | PGKSNJATULKSJY-UHFFFAOYSA-N |