4-{[2-(3,4-dimethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2-ethoxyphenyl acetate
Chemical Structure Depiction of
4-{[2-(3,4-dimethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2-ethoxyphenyl acetate
4-{[2-(3,4-dimethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2-ethoxyphenyl acetate
Compound characteristics
| Compound ID: | 6187-1770 |
| Compound Name: | 4-{[2-(3,4-dimethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2-ethoxyphenyl acetate |
| Molecular Weight: | 467.5 |
| Molecular Formula: | C23 H21 N3 O6 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccc(c(c3)OC)OC)n2)S1)=O)\c1ccc(c(c1)OCC)OC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3714 |
| logD: | 3.3714 |
| logSw: | -3.7577 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.505 |
| InChI Key: | BCNOKFATLFOGAQ-UHFFFAOYSA-N |