5-[(2-chloro-6-fluorophenyl)methylidene]-2-(3,4-dimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-[(2-chloro-6-fluorophenyl)methylidene]-2-(3,4-dimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-[(2-chloro-6-fluorophenyl)methylidene]-2-(3,4-dimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6187-2010 |
| Compound Name: | 5-[(2-chloro-6-fluorophenyl)methylidene]-2-(3,4-dimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 417.84 |
| Molecular Formula: | C19 H13 Cl F N3 O3 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccc(c(c3)OC)OC)n2)S1)=O)\c1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 4.148 |
| logD: | 4.148 |
| logSw: | -4.5771 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.457 |
| InChI Key: | ZMUQJTOIHMWIIB-UHFFFAOYSA-N |