3-{[2-(4-bromophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate
Chemical Structure Depiction of
3-{[2-(4-bromophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate
3-{[2-(4-bromophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate
Compound characteristics
| Compound ID: | 5629-0586 |
| Compound Name: | 3-{[2-(4-bromophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate |
| Molecular Weight: | 442.29 |
| Molecular Formula: | C19 H12 Br N3 O3 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccc(cc3)[Br])n2)S1)=O)\c1cccc(c1)OC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2931 |
| logD: | 4.2931 |
| logSw: | -4.5465 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.947 |
| InChI Key: | QLDGDLMCFOVESF-UHFFFAOYSA-N |