2-(4-butoxyphenyl)-4-[(3-chloro-4-fluoroanilino)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(4-butoxyphenyl)-4-[(3-chloro-4-fluoroanilino)methylidene]-1,3-oxazol-5(4H)-one
2-(4-butoxyphenyl)-4-[(3-chloro-4-fluoroanilino)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-1043 |
| Compound Name: | 2-(4-butoxyphenyl)-4-[(3-chloro-4-fluoroanilino)methylidene]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 388.82 |
| Molecular Formula: | C20 H18 Cl F N2 O3 |
| Smiles: | CCCCOc1ccc(cc1)C1=NC(=C/Nc2ccc(c(c2)[Cl])F)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 5.0838 |
| logD: | 4.9954 |
| logSw: | -5.4949 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.394 |
| InChI Key: | JGEZZFOXCLMCJD-UHFFFAOYSA-N |