5-[(2-bromophenyl)methylidene]-2-(3-methyl-1-benzofuran-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-[(2-bromophenyl)methylidene]-2-(3-methyl-1-benzofuran-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-[(2-bromophenyl)methylidene]-2-(3-methyl-1-benzofuran-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 5629-0791 |
| Compound Name: | 5-[(2-bromophenyl)methylidene]-2-(3-methyl-1-benzofuran-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 438.3 |
| Molecular Formula: | C20 H12 Br N3 O2 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3c(C)c4ccccc4o3)n2)S1)=O)\c1ccccc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.6535 |
| logD: | 5.6535 |
| logSw: | -5.8151 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.722 |
| InChI Key: | KTCCLZNSDAEOGR-UHFFFAOYSA-N |