2-(4-methoxyphenyl)-4-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(4-methoxyphenyl)-4-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-1,3-oxazol-5(4H)-one
2-(4-methoxyphenyl)-4-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-0680 |
| Compound Name: | 2-(4-methoxyphenyl)-4-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 347.33 |
| Molecular Formula: | C20 H13 N O5 |
| Smiles: | COc1ccc(cc1)C1=NC(=C/C2=COc3ccccc3C2=O)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 2.947 |
| logD: | 2.947 |
| logSw: | -3.6659 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.813 |
| InChI Key: | NBRMSXCUBVIYET-UHFFFAOYSA-N |