4-[(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methylidene]-2-[2-(2,3-dichlorophenyl)ethenyl]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methylidene]-2-[2-(2,3-dichlorophenyl)ethenyl]-1,3-oxazol-5(4H)-one
4-[(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methylidene]-2-[2-(2,3-dichlorophenyl)ethenyl]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-1731 |
| Compound Name: | 4-[(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methylidene]-2-[2-(2,3-dichlorophenyl)ethenyl]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 446.67 |
| Molecular Formula: | C21 H10 Cl3 N O4 |
| Smiles: | C(=C/c1cccc(c1[Cl])[Cl])\C1=NC(=C/C2=COc3ccc(cc3C2=O)[Cl])\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 5.4716 |
| logD: | 5.4716 |
| logSw: | -6.1435 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.415 |
| InChI Key: | IKFVIPLYTZTZQA-UHFFFAOYSA-N |