5-({3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-2-(2-phenylethenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-({3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-2-(2-phenylethenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-({3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-2-(2-phenylethenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | Y070-2657 |
| Compound Name: | 5-({3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-2-(2-phenylethenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 417.49 |
| Molecular Formula: | C23 H19 N3 O3 S |
| Smiles: | COc1cc(/C=C2/C(n3c(nc(/C=C/c4ccccc4)n3)S2)=O)ccc1OCC=C |
| Stereo: | ACHIRAL |
| logP: | 4.594 |
| logD: | 4.594 |
| logSw: | -4.5504 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.321 |
| InChI Key: | XGKKXJJCKQXPFK-UHFFFAOYSA-N |