2-[5-({3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}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-({3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate
2-[5-({3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate
Compound characteristics
| Compound ID: | 5629-0879 |
| Compound Name: | 2-[5-({3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate |
| Molecular Weight: | 449.48 |
| Molecular Formula: | C23 H19 N3 O5 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccccc3OC(C)=O)n2)S1)=O)\c1ccc(c(c1)OC)OCC=C |
| Stereo: | ACHIRAL |
| logP: | 3.7817 |
| logD: | 3.7817 |
| logSw: | -4.0936 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.169 |
| InChI Key: | FLZZMQIFJFXVDH-UHFFFAOYSA-N |