5-[(2-chloro-6-fluorophenyl)methylidene]-2-(2-phenylethenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-[(2-chloro-6-fluorophenyl)methylidene]-2-(2-phenylethenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-[(2-chloro-6-fluorophenyl)methylidene]-2-(2-phenylethenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
Compound ID: | Y070-2662 |
Compound Name: | 5-[(2-chloro-6-fluorophenyl)methylidene]-2-(2-phenylethenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
Molecular Weight: | 383.83 |
Molecular Formula: | C19 H11 Cl F N3 O S |
Smiles: | C(=C/c1nc2n(C(/C(=C/c3c(cccc3[Cl])F)S2)=O)n1)\c1ccccc1 |
Stereo: | ACHIRAL |
logP: | 4.6456 |
logD: | 4.6456 |
logSw: | -4.9885 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 38.187 |
InChI Key: | UXBJIFFBKQYBNJ-UHFFFAOYSA-N |