5-[(4-bromophenyl)methylidene]-2-(3,4-dimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-[(4-bromophenyl)methylidene]-2-(3,4-dimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-[(4-bromophenyl)methylidene]-2-(3,4-dimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6187-1706 |
| Compound Name: | 5-[(4-bromophenyl)methylidene]-2-(3,4-dimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 444.3 |
| Molecular Formula: | C19 H14 Br N3 O3 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccc(c(c3)OC)OC)n2)S1)=O)\c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.5476 |
| logD: | 4.5476 |
| logSw: | -4.6138 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.457 |
| InChI Key: | YKYFYXLVIIHTHB-UHFFFAOYSA-N |