2-(3-bromophenyl)-4-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(3-bromophenyl)-4-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-1,3-oxazol-5(4H)-one
2-(3-bromophenyl)-4-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K076-0570 |
| Compound Name: | 2-(3-bromophenyl)-4-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 396.19 |
| Molecular Formula: | C19 H10 Br N O4 |
| Smiles: | C(\C1=COc2ccccc2C1=O)=C1/C(=O)OC(c2cccc(c2)[Br])=N1 |
| Stereo: | ACHIRAL |
| logP: | 3.7877 |
| logD: | 3.7877 |
| logSw: | -4.2631 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.269 |
| InChI Key: | RDKVDUVYYQKUGB-UHFFFAOYSA-N |