3-[2-(2-bromo-4-methylanilino)-1,3-thiazol-4-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[2-(2-bromo-4-methylanilino)-1,3-thiazol-4-yl]-2H-1-benzopyran-2-one
3-[2-(2-bromo-4-methylanilino)-1,3-thiazol-4-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K232-0059 |
| Compound Name: | 3-[2-(2-bromo-4-methylanilino)-1,3-thiazol-4-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 413.29 |
| Molecular Formula: | C19 H13 Br N2 O2 S |
| Smiles: | Cc1ccc(c(c1)[Br])Nc1nc(cs1)C1=Cc2ccccc2OC1=O |
| Stereo: | ACHIRAL |
| logP: | 5.7632 |
| logD: | 5.7632 |
| logSw: | -5.5069 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.15 |
| InChI Key: | ZFBTXJYXIPBZEF-UHFFFAOYSA-N |