4-{[6-oxo-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate
Chemical Structure Depiction of
4-{[6-oxo-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate
4-{[6-oxo-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate
Compound characteristics
| Compound ID: | 6672-0143 |
| Compound Name: | 4-{[6-oxo-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate |
| Molecular Weight: | 419.46 |
| Molecular Formula: | C22 H17 N3 O4 S |
| Smiles: | CC(=O)Oc1ccc(/C=C2/C(n3c(nc(c4ccc(cc4)OCC=C)n3)S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1037 |
| logD: | 4.1037 |
| logSw: | -4.2784 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.365 |
| InChI Key: | SWSUEWJPEJHXOW-UHFFFAOYSA-N |