3-{[2-(2-bromophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate
Chemical Structure Depiction of
3-{[2-(2-bromophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate
3-{[2-(2-bromophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate
Compound characteristics
Compound ID: | 6187-1867 |
Compound Name: | 3-{[2-(2-bromophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate |
Molecular Weight: | 442.29 |
Molecular Formula: | C19 H12 Br N3 O3 S |
Smiles: | [H]C(=C1/C(n2c(nc(c3ccccc3[Br])n2)S1)=O)\c1cccc(c1)OC(C)=O |
Stereo: | ACHIRAL |
logP: | 3.5437 |
logD: | 3.5437 |
logSw: | -3.8313 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 57.947 |
InChI Key: | VHZPCGJYQUMPBY-UHFFFAOYSA-N |