2-(5-{[4-(acetyloxy)-3-methoxyphenyl]methylidene}-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate
Chemical Structure Depiction of
2-(5-{[4-(acetyloxy)-3-methoxyphenyl]methylidene}-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate
2-(5-{[4-(acetyloxy)-3-methoxyphenyl]methylidene}-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate
Compound characteristics
| Compound ID: | 5629-0481 |
| Compound Name: | 2-(5-{[4-(acetyloxy)-3-methoxyphenyl]methylidene}-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate |
| Molecular Weight: | 451.46 |
| Molecular Formula: | C22 H17 N3 O6 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccccc3OC(C)=O)n2)S1)=O)\c1ccc(c(c1)OC)OC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.911 |
| logD: | 2.911 |
| logSw: | -3.4911 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 86.502 |
| InChI Key: | DRVVJAVYZIVZHU-UHFFFAOYSA-N |