4-[(4-bromothiophen-2-yl)methylidene]-2-(4'-octyl[1,1'-biphenyl]-4-yl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(4-bromothiophen-2-yl)methylidene]-2-(4'-octyl[1,1'-biphenyl]-4-yl)-1,3-oxazol-5(4H)-one
4-[(4-bromothiophen-2-yl)methylidene]-2-(4'-octyl[1,1'-biphenyl]-4-yl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K074-5798 |
| Compound Name: | 4-[(4-bromothiophen-2-yl)methylidene]-2-(4'-octyl[1,1'-biphenyl]-4-yl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 522.5 |
| Molecular Formula: | C28 H28 Br N O2 S |
| Smiles: | CCCCCCCCc1ccc(cc1)c1ccc(cc1)C1=NC(=C/c2cc(cs2)[Br])\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 9.7092 |
| logD: | 9.7092 |
| logSw: | -5.7407 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.1224 |
| InChI Key: | LHXLHKLKIHRENI-UHFFFAOYSA-N |