4-({2-[2-(4-fluorophenyl)ethenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl)-2-methoxyphenyl acetate
Chemical Structure Depiction of
4-({2-[2-(4-fluorophenyl)ethenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl)-2-methoxyphenyl acetate
4-({2-[2-(4-fluorophenyl)ethenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl)-2-methoxyphenyl acetate
Compound characteristics
| Compound ID: | Y070-4646 |
| Compound Name: | 4-({2-[2-(4-fluorophenyl)ethenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl)-2-methoxyphenyl acetate |
| Molecular Weight: | 437.45 |
| Molecular Formula: | C22 H16 F N3 O4 S |
| Smiles: | CC(=O)Oc1ccc(/C=C2/C(n3c(nc(/C=C/c4ccc(cc4)F)n3)S2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.7482 |
| logD: | 3.7482 |
| logSw: | -4.2107 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.655 |
| InChI Key: | SYQUADMTAOONMK-UHFFFAOYSA-N |