2-bromo-4-{[2-(4-ethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-6-methoxyphenyl acetate
Chemical Structure Depiction of
2-bromo-4-{[2-(4-ethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-6-methoxyphenyl acetate
2-bromo-4-{[2-(4-ethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-6-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 5629-0701 |
| Compound Name: | 2-bromo-4-{[2-(4-ethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-6-methoxyphenyl acetate |
| Molecular Weight: | 516.37 |
| Molecular Formula: | C22 H18 Br N3 O5 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccc(cc3)OCC)n2)S1)=O)\c1cc(c(c(c1)[Br])OC(C)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.6065 |
| logD: | 4.6065 |
| logSw: | -4.5292 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.874 |
| InChI Key: | JKZMAAGEZYRQGS-UHFFFAOYSA-N |