2-bromo-4-{[2-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-6-methoxyphenyl acetate
2-bromo-4-{[2-(3,4-dimethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-6-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 6187-1946 |
| Compound Name: | 2-bromo-4-{[2-(3,4-dimethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-6-methoxyphenyl acetate |
| Molecular Weight: | 532.37 |
| Molecular Formula: | C22 H18 Br N3 O6 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccc(c(c3)OC)OC)n2)S1)=O)\c1cc(c(c(c1)[Br])OC(C)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.86 |
| logD: | 3.86 |
| logSw: | -4.1963 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.012 |
| InChI Key: | LTNSQYCKBUDTGY-UHFFFAOYSA-N |