5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-ethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-ethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-ethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 5629-0718 |
| Compound Name: | 5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-ethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 458.33 |
| Molecular Formula: | C20 H16 Br N3 O3 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccc(cc3)OCC)n2)S1)=O)\c1cc(ccc1OC)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.4323 |
| logD: | 5.4323 |
| logSw: | -5.4469 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.95 |
| InChI Key: | IPIDUNDWWUMCTE-UHFFFAOYSA-N |