2-{5-[(4-iodophenyl)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-[(4-iodophenyl)methylidene]-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate
2-{5-[(4-iodophenyl)methylidene]-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate
Compound characteristics
| Compound ID: | Y070-0822 |
| Compound Name: | 2-{5-[(4-iodophenyl)methylidene]-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate |
| Molecular Weight: | 489.29 |
| Molecular Formula: | C19 H12 I N3 O3 S |
| Smiles: | CC(=O)Oc1ccccc1c1nc2n(C(/C(=C/c3ccc(cc3)I)S2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.6096 |
| logD: | 4.6096 |
| logSw: | -4.7124 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.034 |
| InChI Key: | WZKNGZWAKRGACN-UHFFFAOYSA-N |