4-[(3-chloro-4-fluoroanilino)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(3-chloro-4-fluoroanilino)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5(4H)-one
4-[(3-chloro-4-fluoroanilino)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0426 |
| Compound Name: | 4-[(3-chloro-4-fluoroanilino)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 346.74 |
| Molecular Formula: | C17 H12 Cl F N2 O3 |
| Smiles: | COc1cccc(c1)C1=NC(=C/Nc2ccc(c(c2)[Cl])F)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 3.6879 |
| logD: | 3.5995 |
| logSw: | -4.2967 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.52 |
| InChI Key: | NGGBNGJMMVIJKF-UHFFFAOYSA-N |