2-(3,4-dimethylphenyl)-4-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(3,4-dimethylphenyl)-4-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-1,3-oxazol-5(4H)-one
2-(3,4-dimethylphenyl)-4-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 2165-0868 |
| Compound Name: | 2-(3,4-dimethylphenyl)-4-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 345.35 |
| Molecular Formula: | C21 H15 N O4 |
| Smiles: | Cc1ccc(cc1C)C1=NC(=C\C2=COc3ccccc3C2=O)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 3.9248 |
| logD: | 3.9248 |
| logSw: | -4.0983 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.269 |
| InChI Key: | GFLUVTICIQPCRO-UHFFFAOYSA-N |