methyl 4-({2-[2-(acetyloxy)phenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({2-[2-(acetyloxy)phenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl)benzoate
methyl 4-({2-[2-(acetyloxy)phenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl)benzoate
Compound characteristics
| Compound ID: | 5629-0996 |
| Compound Name: | methyl 4-({2-[2-(acetyloxy)phenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl)benzoate |
| Molecular Weight: | 421.43 |
| Molecular Formula: | C21 H15 N3 O5 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccccc3OC(C)=O)n2)S1)=O)\c1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.4897 |
| logD: | 3.4897 |
| logSw: | -3.8191 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.207 |
| InChI Key: | SKWSHQWJSPFZFX-UHFFFAOYSA-N |