4-[(4-chloro-2-methylanilino)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(4-chloro-2-methylanilino)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one
4-[(4-chloro-2-methylanilino)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-1113 |
| Compound Name: | 4-[(4-chloro-2-methylanilino)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 326.78 |
| Molecular Formula: | C18 H15 Cl N2 O2 |
| Smiles: | Cc1ccc(cc1)C1=NC(=C/Nc2ccc(cc2C)[Cl])\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 4.6189 |
| logD: | 4.6167 |
| logSw: | -4.7433 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.279 |
| InChI Key: | PQUYSMRTGGGBCB-UHFFFAOYSA-N |