4-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one
4-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K074-0966 |
| Compound Name: | 4-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 407.38 |
| Molecular Formula: | C22 H17 N O7 |
| Smiles: | COc1cc(cc(c1OC)OC)C1=NC(=C/C2=COc3ccccc3C2=O)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 2.5967 |
| logD: | 2.5967 |
| logSw: | -3.4271 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.247 |
| InChI Key: | ZUDFKXXPSKOIQF-UHFFFAOYSA-N |