2-(4-butylphenyl)-4-[(2-iodoanilino)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(4-butylphenyl)-4-[(2-iodoanilino)methylidene]-1,3-oxazol-5(4H)-one
2-(4-butylphenyl)-4-[(2-iodoanilino)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0400 |
| Compound Name: | 2-(4-butylphenyl)-4-[(2-iodoanilino)methylidene]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 446.29 |
| Molecular Formula: | C20 H19 I N2 O2 |
| Smiles: | CCCCc1ccc(cc1)C1=NC(=C/Nc2ccccc2I)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 5.5631 |
| logD: | 5.5615 |
| logSw: | -5.4859 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.279 |
| InChI Key: | RWSIYJNRMTTYBQ-UHFFFAOYSA-N |