4-[(2-bromo-4-methylanilino)methylidene]-2-(4-butylphenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(2-bromo-4-methylanilino)methylidene]-2-(4-butylphenyl)-1,3-oxazol-5(4H)-one
4-[(2-bromo-4-methylanilino)methylidene]-2-(4-butylphenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0371 |
| Compound Name: | 4-[(2-bromo-4-methylanilino)methylidene]-2-(4-butylphenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 413.31 |
| Molecular Formula: | C21 H21 Br N2 O2 |
| Smiles: | CCCCc1ccc(cc1)C1=NC(=C/Nc2ccc(C)cc2[Br])\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 6.0025 |
| logD: | 6.0022 |
| logSw: | -5.3265 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.279 |
| InChI Key: | ACQHEEKVNYVWMP-UHFFFAOYSA-N |