2-(4-methylphenyl)-4-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(4-methylphenyl)-4-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-1,3-oxazol-5(4H)-one
2-(4-methylphenyl)-4-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K074-7302 |
| Compound Name: | 2-(4-methylphenyl)-4-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 331.33 |
| Molecular Formula: | C20 H13 N O4 |
| Smiles: | Cc1ccc(cc1)C1=NC(=C/C2=COc3ccccc3C2=O)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 3.388 |
| logD: | 3.388 |
| logSw: | -3.916 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.269 |
| InChI Key: | CALSEQZDANITRD-UHFFFAOYSA-N |