3-[2-(2,4-dimethoxyanilino)-1,3-thiazol-4-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[2-(2,4-dimethoxyanilino)-1,3-thiazol-4-yl]-2H-1-benzopyran-2-one
3-[2-(2,4-dimethoxyanilino)-1,3-thiazol-4-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K232-0042 |
| Compound Name: | 3-[2-(2,4-dimethoxyanilino)-1,3-thiazol-4-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 380.42 |
| Molecular Formula: | C20 H16 N2 O4 S |
| Smiles: | COc1ccc(c(c1)OC)Nc1nc(cs1)C1=Cc2ccccc2OC1=O |
| Stereo: | ACHIRAL |
| logP: | 4.727 |
| logD: | 4.727 |
| logSw: | -4.6666 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.324 |
| InChI Key: | YAJAIMROSFAGNG-UHFFFAOYSA-N |