4-[(2,4-dichloroanilino)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(2,4-dichloroanilino)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one
4-[(2,4-dichloroanilino)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0271 |
| Compound Name: | 4-[(2,4-dichloroanilino)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 423.25 |
| Molecular Formula: | C19 H16 Cl2 N2 O5 |
| Smiles: | COc1cc(cc(c1OC)OC)C1=NC(=C/Nc2ccc(cc2[Cl])[Cl])\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 3.9015 |
| logD: | 3.8119 |
| logSw: | -4.4317 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.257 |
| InChI Key: | BIDJTDICQAQVME-UHFFFAOYSA-N |