5-[(4-butoxy-3-ethoxyphenyl)methylidene]-2-(2-chlorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-[(4-butoxy-3-ethoxyphenyl)methylidene]-2-(2-chlorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-[(4-butoxy-3-ethoxyphenyl)methylidene]-2-(2-chlorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 5606-4387 |
| Compound Name: | 5-[(4-butoxy-3-ethoxyphenyl)methylidene]-2-(2-chlorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 455.96 |
| Molecular Formula: | C23 H22 Cl N3 O3 S |
| Smiles: | CCCCOc1ccc(/C=C2/C(n3c(nc(c4ccccc4[Cl])n3)S2)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 5.5622 |
| logD: | 5.5622 |
| logSw: | -5.7587 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.911 |
| InChI Key: | DITKYGGXLMZGGD-UHFFFAOYSA-N |