2-(5-{[3-(acetyloxy)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-(acetyloxy)phenyl]methylidene}-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate
2-(5-{[3-(acetyloxy)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: | 5629-0591 |
| Compound Name: | 2-(5-{[3-(acetyloxy)phenyl]methylidene}-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate |
| Molecular Weight: | 421.43 |
| Molecular Formula: | C21 H15 N3 O5 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccccc3OC(C)=O)n2)S1)=O)\c1cccc(c1)OC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7669 |
| logD: | 2.7669 |
| logSw: | -3.4429 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.785 |
| InChI Key: | YGLLOEDJSUQSNU-UHFFFAOYSA-N |