2-[6-oxo-5-({2-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate
Chemical Structure Depiction of
2-[6-oxo-5-({2-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate
2-[6-oxo-5-({2-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate
Compound characteristics
| Compound ID: | 5629-0896 |
| Compound Name: | 2-[6-oxo-5-({2-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate |
| Molecular Weight: | 419.46 |
| Molecular Formula: | C22 H17 N3 O4 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccccc3OC(C)=O)n2)S1)=O)\c1ccccc1OCC=C |
| Stereo: | ACHIRAL |
| logP: | 4.481 |
| logD: | 4.481 |
| logSw: | -4.6276 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.538 |
| InChI Key: | DVDHVIFLYXLILK-UHFFFAOYSA-N |