2-{5-[(4-butoxyphenyl)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-butoxyphenyl)methylidene]-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate
2-{5-[(4-butoxyphenyl)methylidene]-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate
Compound characteristics
| Compound ID: | 4341-3286 |
| Compound Name: | 2-{5-[(4-butoxyphenyl)methylidene]-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C23 H21 N3 O4 S |
| Smiles: | CCCCOc1ccc(/C=C2/C(n3c(nc(c4ccccc4OC(C)=O)n3)S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8313 |
| logD: | 4.8313 |
| logSw: | -4.717 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.451 |
| InChI Key: | VKSPXHQQKHSMQO-UHFFFAOYSA-N |