5-[(4-tert-butylphenyl)methylidene]-2-(pyridin-4-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-[(4-tert-butylphenyl)methylidene]-2-(pyridin-4-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-[(4-tert-butylphenyl)methylidene]-2-(pyridin-4-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 5629-0254 |
| Compound Name: | 5-[(4-tert-butylphenyl)methylidene]-2-(pyridin-4-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 362.45 |
| Molecular Formula: | C20 H18 N4 O S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccncc3)n2)S1)=O)\c1ccc(cc1)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.6367 |
| logD: | 4.6365 |
| logSw: | -4.3791 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.624 |
| InChI Key: | UERXQHDWDOQQNQ-UHFFFAOYSA-N |