2-{5-[(2-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-[(2-butoxyphenyl)methylidene]-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate
2-{5-[(2-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: | 5606-3899 |
| Compound Name: | 2-{5-[(2-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: | CCCCOc1ccccc1\C=C1/C(n2c(nc(c3ccccc3OC(C)=O)n2)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.192 |
| logD: | 5.192 |
| logSw: | -5.0734 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.538 |
| InChI Key: | NYPUKKPHWGQSOV-UHFFFAOYSA-N |