4-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4'-octyl[1,1'-biphenyl]-4-yl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4'-octyl[1,1'-biphenyl]-4-yl)-1,3-oxazol-5(4H)-one
4-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4'-octyl[1,1'-biphenyl]-4-yl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K074-5843 |
| Compound Name: | 4-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4'-octyl[1,1'-biphenyl]-4-yl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 546.5 |
| Molecular Formula: | C31 H32 Br N O3 |
| Smiles: | CCCCCCCCc1ccc(cc1)c1ccc(cc1)C1=NC(=C/c2cc(ccc2OC)[Br])\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 10.0521 |
| logD: | 10.0521 |
| logSw: | -5.7321 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.735 |
| InChI Key: | VTAJMUHAOPTLEU-UHFFFAOYSA-N |