2-bromo-6-methoxy-4-{[6-oxo-2-(thiophen-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate
Chemical Structure Depiction of
2-bromo-6-methoxy-4-{[6-oxo-2-(thiophen-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate
2-bromo-6-methoxy-4-{[6-oxo-2-(thiophen-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate
Compound characteristics
| Compound ID: | 5629-0708 |
| Compound Name: | 2-bromo-6-methoxy-4-{[6-oxo-2-(thiophen-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate |
| Molecular Weight: | 478.34 |
| Molecular Formula: | C18 H12 Br N3 O4 S2 |
| Smiles: | [H]C(=C1/C(n2c(nc(c3cccs3)n2)S1)=O)\c1cc(c(c(c1)[Br])OC(C)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.9579 |
| logD: | 3.9579 |
| logSw: | -4.1575 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.769 |
| InChI Key: | HPXDSAQWMBRAKQ-UHFFFAOYSA-N |