5-[(4-butoxy-3-methoxyphenyl)methylidene]-2-(4-ethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-[(4-butoxy-3-methoxyphenyl)methylidene]-2-(4-ethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-[(4-butoxy-3-methoxyphenyl)methylidene]-2-(4-ethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 5629-0645 |
| Compound Name: | 5-[(4-butoxy-3-methoxyphenyl)methylidene]-2-(4-ethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 451.54 |
| Molecular Formula: | C24 H25 N3 O4 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccc(cc3)OCC)n2)S1)=O)\c1ccc(c(c1)OC)OCCCC |
| Stereo: | ACHIRAL |
| logP: | 5.5539 |
| logD: | 5.5539 |
| logSw: | -5.3692 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.454 |
| InChI Key: | QPURNTBJKFLQOO-UHFFFAOYSA-N |