5-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]-2-[2-(4-fluorophenyl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]-2-[2-(4-fluorophenyl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]-2-[2-(4-fluorophenyl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | Y070-4535 |
| Compound Name: | 5-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]-2-[2-(4-fluorophenyl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 477.6 |
| Molecular Formula: | C27 H28 F N3 O2 S |
| Smiles: | CC(C)(C)c1cc(/C=C2/C(n3c(nc(/C=C/c4ccc(cc4)F)n3)S2)=O)cc(c1O)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 6.8 |
| logD: | 6.7999 |
| logSw: | -5.6675 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.666 |
| InChI Key: | KTQXXUDQYQJJHE-UHFFFAOYSA-N |