3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-6-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-6-methoxy-2H-1-benzopyran-2-one
3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-6-methoxy-2H-1-benzopyran-2-one
Compound characteristics
Compound ID: | K277-0048 |
Compound Name: | 3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-6-methoxy-2H-1-benzopyran-2-one |
Molecular Weight: | 404.27 |
Molecular Formula: | C19 H11 Cl2 N O3 S |
Smiles: | COc1ccc2c(C=C(C(=O)O2)c2nc(cs2)c2ccc(cc2[Cl])[Cl])c1 |
Stereo: | ACHIRAL |
logP: | 5.6927 |
logD: | 5.6927 |
logSw: | -6.0412 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 38.166 |
InChI Key: | RVEPNJSBBIMHMV-UHFFFAOYSA-N |