5-[(2-chloro-6-fluorophenyl)methylidene]-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-[(2-chloro-6-fluorophenyl)methylidene]-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-[(2-chloro-6-fluorophenyl)methylidene]-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6672-0151 |
| Compound Name: | 5-[(2-chloro-6-fluorophenyl)methylidene]-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 413.86 |
| Molecular Formula: | C20 H13 Cl F N3 O2 S |
| Smiles: | C=CCOc1ccc(cc1)c1nc2n(C(/C(=C/c3c(cccc3[Cl])F)S2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.0586 |
| logD: | 5.0586 |
| logSw: | -5.3548 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.614 |
| InChI Key: | CTKTXCLJZRKGKZ-UHFFFAOYSA-N |