4-[(4-iodoanilino)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(4-iodoanilino)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one
4-[(4-iodoanilino)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0259 |
| Compound Name: | 4-[(4-iodoanilino)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 480.26 |
| Molecular Formula: | C19 H17 I N2 O5 |
| Smiles: | COc1cc(cc(c1OC)OC)C1=NC(=C/Nc2ccc(cc2)I)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 3.8846 |
| logD: | 3.8833 |
| logSw: | -4.2013 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.954 |
| InChI Key: | QBWQRQNXVMNPFJ-UHFFFAOYSA-N |