2-{5-[(3,4-dimethoxyphenyl)methylidene]-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate
Chemical Structure Depiction of
2-{5-[(3,4-dimethoxyphenyl)methylidene]-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate
2-{5-[(3,4-dimethoxyphenyl)methylidene]-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate
Compound characteristics
| Compound ID: | 4428-0006 |
| Compound Name: | 2-{5-[(3,4-dimethoxyphenyl)methylidene]-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate |
| Molecular Weight: | 423.45 |
| Molecular Formula: | C21 H17 N3 O5 S |
| Smiles: | CC(=O)Oc1ccccc1c1nc2n(C(/C(=C\c3ccc(c(c3)OC)OC)S2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.9976 |
| logD: | 2.9976 |
| logSw: | -3.4774 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.295 |
| InChI Key: | ZGEIFNGMJUEAPN-UHFFFAOYSA-N |