2-bromo-4-{[2-(2,3-dihydro-1,4-benzodioxin-2-yl)-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-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-6-methoxyphenyl acetate
2-bromo-4-{[2-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-6-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 5629-0711 |
| Compound Name: | 2-bromo-4-{[2-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-6-methoxyphenyl acetate |
| Molecular Weight: | 530.35 |
| Molecular Formula: | C22 H16 Br N3 O6 S |
| Smiles: | [H]C(=C1/C(n2c(nc(C3COc4ccccc4O3)n2)S1)=O)\c1cc(c(c(c1)[Br])OC(C)=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8561 |
| logD: | 3.8561 |
| logSw: | -4.1376 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.188 |
| InChI Key: | GGUFFIAXHCDWLA-KRWDZBQOSA-N |