5-[(4-iodophenyl)methylidene]-2-(3-nitrophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-[(4-iodophenyl)methylidene]-2-(3-nitrophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-[(4-iodophenyl)methylidene]-2-(3-nitrophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | Y070-0824 |
| Compound Name: | 5-[(4-iodophenyl)methylidene]-2-(3-nitrophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 476.25 |
| Molecular Formula: | C17 H9 I N4 O3 S |
| Smiles: | C(=C1/C(n2c(nc(c3cccc(c3)[N+]([O-])=O)n2)S1)=O)\c1ccc(cc1)I |
| Stereo: | ACHIRAL |
| logP: | 5.246 |
| logD: | 5.246 |
| logSw: | -5.45 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.577 |
| InChI Key: | XFVKNCJEHMKIIK-UHFFFAOYSA-N |