6-chloro-3-[2-(3,4-dimethoxyanilino)-1,3-thiazol-4-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-3-[2-(3,4-dimethoxyanilino)-1,3-thiazol-4-yl]-2H-1-benzopyran-2-one
6-chloro-3-[2-(3,4-dimethoxyanilino)-1,3-thiazol-4-yl]-2H-1-benzopyran-2-one
Compound characteristics
Compound ID: | K232-0436 |
Compound Name: | 6-chloro-3-[2-(3,4-dimethoxyanilino)-1,3-thiazol-4-yl]-2H-1-benzopyran-2-one |
Molecular Weight: | 414.87 |
Molecular Formula: | C20 H15 Cl N2 O4 S |
Smiles: | COc1ccc(cc1OC)Nc1nc(cs1)C1=Cc2cc(ccc2OC1=O)[Cl] |
Stereo: | ACHIRAL |
logP: | 4.8691 |
logD: | 4.8691 |
logSw: | -4.9733 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 55.108 |
InChI Key: | WQALRKWXVVCYEF-UHFFFAOYSA-N |