2-(2-chloro-4-methoxyphenyl)-4-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(2-chloro-4-methoxyphenyl)-4-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-1,3-oxazol-5(4H)-one
2-(2-chloro-4-methoxyphenyl)-4-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-0540 |
| Compound Name: | 2-(2-chloro-4-methoxyphenyl)-4-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 381.77 |
| Molecular Formula: | C20 H12 Cl N O5 |
| Smiles: | COc1ccc(C2=NC(=C/C3=COc4ccccc4C3=O)\C(=O)O2)c(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.5435 |
| logD: | 3.5435 |
| logSw: | -4.1947 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.813 |
| InChI Key: | LCZQTMXITCYOMJ-UHFFFAOYSA-N |