4-{[4-(methylsulfanyl)phenyl]methylidene}-2-(4'-octyl[1,1'-biphenyl]-4-yl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-{[4-(methylsulfanyl)phenyl]methylidene}-2-(4'-octyl[1,1'-biphenyl]-4-yl)-1,3-oxazol-5(4H)-one
4-{[4-(methylsulfanyl)phenyl]methylidene}-2-(4'-octyl[1,1'-biphenyl]-4-yl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K074-5892 |
| Compound Name: | 4-{[4-(methylsulfanyl)phenyl]methylidene}-2-(4'-octyl[1,1'-biphenyl]-4-yl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 483.67 |
| Molecular Formula: | C31 H33 N O2 S |
| Smiles: | CCCCCCCCc1ccc(cc1)c1ccc(cc1)C1=NC(=C/c2ccc(cc2)SC)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 9.8524 |
| logD: | 9.8524 |
| logSw: | -5.8462 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 30.104 |
| InChI Key: | DCJPTZUYNXJDNH-UHFFFAOYSA-N |