5-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[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-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6672-0515 |
| Compound Name: | 5-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 489.64 |
| Molecular Formula: | C28 H31 N3 O3 S |
| Smiles: | CC(C)(C)c1cc(\C=C2/C(n3c(nc(c4ccc(cc4)OCC=C)n3)S2)=O)cc(c1O)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 7.1883 |
| logD: | 7.1881 |
| logSw: | -5.5803 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.093 |
| InChI Key: | MJGDQKGLCDIMTR-UHFFFAOYSA-N |