4-bromo-2-{[2-(4-methylphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate
Chemical Structure Depiction of
4-bromo-2-{[2-(4-methylphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate
4-bromo-2-{[2-(4-methylphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate
Compound characteristics
| Compound ID: | Y070-0723 |
| Compound Name: | 4-bromo-2-{[2-(4-methylphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate |
| Molecular Weight: | 456.32 |
| Molecular Formula: | C20 H14 Br N3 O3 S |
| Smiles: | CC(=O)Oc1ccc(cc1\C=C1/C(n2c(nc(c3ccc(C)cc3)n2)S1)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.8917 |
| logD: | 4.8917 |
| logSw: | -4.8059 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.034 |
| InChI Key: | YTIFMOZWCGXDCB-UHFFFAOYSA-N |