4-[(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methylidene]-2-(3-methylphenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methylidene]-2-(3-methylphenyl)-1,3-oxazol-5(4H)-one
4-[(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methylidene]-2-(3-methylphenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 2165-0938 |
| Compound Name: | 4-[(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methylidene]-2-(3-methylphenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 365.77 |
| Molecular Formula: | C20 H12 Cl N O4 |
| Smiles: | Cc1cccc(c1)C1=NC(=C\C2=COc3ccc(cc3C2=O)[Cl])\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 3.9924 |
| logD: | 3.9924 |
| logSw: | -4.4664 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.269 |
| InChI Key: | VNTZWYIJEIXJMF-UHFFFAOYSA-N |