5-benzylidene-2-[2-(3,4-dimethoxyphenyl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-benzylidene-2-[2-(3,4-dimethoxyphenyl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-benzylidene-2-[2-(3,4-dimethoxyphenyl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | Y070-3131 |
| Compound Name: | 5-benzylidene-2-[2-(3,4-dimethoxyphenyl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 391.45 |
| Molecular Formula: | C21 H17 N3 O3 S |
| Smiles: | COc1ccc(/C=C/c2nc3n(C(/C(=C/c4ccccc4)S3)=O)n2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.9173 |
| logD: | 3.9173 |
| logSw: | -4.0809 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.447 |
| InChI Key: | DMOAMJZJTLASBG-UHFFFAOYSA-N |