2-bromo-6-methoxy-4-{[2-(2-methoxyphenyl)-6-oxo[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-{[2-(2-methoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate
2-bromo-6-methoxy-4-{[2-(2-methoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate
Compound characteristics
| Compound ID: | 6187-1949 |
| Compound Name: | 2-bromo-6-methoxy-4-{[2-(2-methoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate |
| Molecular Weight: | 502.34 |
| Molecular Formula: | C21 H16 Br N3 O5 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccccc3OC)n2)S1)=O)\c1cc(c(c(c1)[Br])OC(C)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.8367 |
| logD: | 3.8367 |
| logSw: | -4.1678 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.381 |
| InChI Key: | IGNHBXWWLAVAKO-UHFFFAOYSA-N |