6-bromo-3-[2-(2,4-dimethoxyanilino)-1,3-thiazol-4-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-3-[2-(2,4-dimethoxyanilino)-1,3-thiazol-4-yl]-2H-1-benzopyran-2-one
6-bromo-3-[2-(2,4-dimethoxyanilino)-1,3-thiazol-4-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K232-0990 |
| Compound Name: | 6-bromo-3-[2-(2,4-dimethoxyanilino)-1,3-thiazol-4-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 459.32 |
| Molecular Formula: | C20 H15 Br N2 O4 S |
| Smiles: | COc1ccc(c(c1)OC)Nc1nc(cs1)C1=Cc2cc(ccc2OC1=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.4664 |
| logD: | 5.4664 |
| logSw: | -5.53 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.324 |
| InChI Key: | LBNNJYDVPJUBGY-UHFFFAOYSA-N |