3-{[2-(4-butoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate
Chemical Structure Depiction of
3-{[2-(4-butoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate
3-{[2-(4-butoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate
Compound characteristics
| Compound ID: | 6187-0951 |
| Compound Name: | 3-{[2-(4-butoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C23 H21 N3 O4 S |
| Smiles: | CCCCOc1ccc(cc1)c1nc2n(C(/C(=C/c3cccc(c3)OC(C)=O)S2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.8915 |
| logD: | 4.8915 |
| logSw: | -4.7 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.365 |
| InChI Key: | YDQLMSAKSLLBJS-UHFFFAOYSA-N |