4-[(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methylidene]-2-(4'-octyl[1,1'-biphenyl]-4-yl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methylidene]-2-(4'-octyl[1,1'-biphenyl]-4-yl)-1,3-oxazol-5(4H)-one
4-[(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methylidene]-2-(4'-octyl[1,1'-biphenyl]-4-yl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K074-5896 |
| Compound Name: | 4-[(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methylidene]-2-(4'-octyl[1,1'-biphenyl]-4-yl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 540.06 |
| Molecular Formula: | C33 H30 Cl N O4 |
| Smiles: | CCCCCCCCc1ccc(cc1)c1ccc(cc1)C1=NC(=C/C2=COc3ccc(cc3C2=O)[Cl])\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 9.4824 |
| logD: | 9.4824 |
| logSw: | -6.3798 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.997 |
| InChI Key: | MDUZIXWGUXFHCI-UHFFFAOYSA-N |