5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6672-0513 |
| Compound Name: | 5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C23 H21 N3 O4 S |
| Smiles: | CCOc1ccc(\C=C2/C(n3c(nc(c4ccc(cc4)OCC=C)n3)S2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.5686 |
| logD: | 4.5686 |
| logSw: | -4.4963 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.454 |
| InChI Key: | SWTYYBUBFBRNHV-UHFFFAOYSA-N |