2-{5-[(5-bromo-2-methoxyphenyl)methylidene]-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate
Chemical Structure Depiction of
2-{5-[(5-bromo-2-methoxyphenyl)methylidene]-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate
2-{5-[(5-bromo-2-methoxyphenyl)methylidene]-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate
Compound characteristics
| Compound ID: | 5629-0727 |
| Compound Name: | 2-{5-[(5-bromo-2-methoxyphenyl)methylidene]-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate |
| Molecular Weight: | 472.32 |
| Molecular Formula: | C20 H14 Br N3 O4 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccccc3OC(C)=O)n2)S1)=O)\c1cc(ccc1OC)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.371 |
| logD: | 4.371 |
| logSw: | -4.6319 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.664 |
| InChI Key: | WMZOKCWQQHMERV-UHFFFAOYSA-N |