6-bromo-3-[2-(4-ethylanilino)-1,3-thiazol-4-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-3-[2-(4-ethylanilino)-1,3-thiazol-4-yl]-2H-1-benzopyran-2-one
6-bromo-3-[2-(4-ethylanilino)-1,3-thiazol-4-yl]-2H-1-benzopyran-2-one
Compound characteristics
Compound ID: | K232-1802 |
Compound Name: | 6-bromo-3-[2-(4-ethylanilino)-1,3-thiazol-4-yl]-2H-1-benzopyran-2-one |
Molecular Weight: | 427.32 |
Molecular Formula: | C20 H15 Br N2 O2 S |
Smiles: | CCc1ccc(cc1)Nc1nc(cs1)C1=Cc2cc(ccc2OC1=O)[Br] |
Stereo: | ACHIRAL |
logP: | 6.3924 |
logD: | 6.3924 |
logSw: | -5.6765 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 39.847 |
InChI Key: | BBUCTLCXOJLHLH-UHFFFAOYSA-N |