4-{[6-oxo-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate
Chemical Structure Depiction of
4-{[6-oxo-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate
4-{[6-oxo-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate
Compound characteristics
| Compound ID: | 6187-1806 |
| Compound Name: | 4-{[6-oxo-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate |
| Molecular Weight: | 453.47 |
| Molecular Formula: | C22 H19 N3 O6 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3cc(c(c(c3)OC)OC)OC)n2)S1)=O)\c1ccc(cc1)OC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0529 |
| logD: | 3.0529 |
| logSw: | -3.4873 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.925 |
| InChI Key: | XJFPZLZJFUBWEQ-UHFFFAOYSA-N |