4-{[2-(4-bromophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2,6-dimethylphenyl acetate
Chemical Structure Depiction of
4-{[2-(4-bromophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2,6-dimethylphenyl acetate
4-{[2-(4-bromophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2,6-dimethylphenyl acetate
Compound characteristics
| Compound ID: | 5629-0950 |
| Compound Name: | 4-{[2-(4-bromophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2,6-dimethylphenyl acetate |
| Molecular Weight: | 470.34 |
| Molecular Formula: | C21 H16 Br N3 O3 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccc(cc3)[Br])n2)S1)=O)\c1cc(C)c(c(C)c1)OC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5059 |
| logD: | 5.5059 |
| logSw: | -5.5051 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.12 |
| InChI Key: | ZMTJBJPRZZKNFI-UHFFFAOYSA-N |