4-({4-[(2-acetamido-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]-2,6-dichlorophenoxy}methyl)benzoic acid
Chemical Structure Depiction of
4-({4-[(2-acetamido-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]-2,6-dichlorophenoxy}methyl)benzoic acid
4-({4-[(2-acetamido-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]-2,6-dichlorophenoxy}methyl)benzoic acid
Compound characteristics
| Compound ID: | 5789-2717 |
| Compound Name: | 4-({4-[(2-acetamido-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]-2,6-dichlorophenoxy}methyl)benzoic acid |
| Molecular Weight: | 465.31 |
| Molecular Formula: | C20 H14 Cl2 N2 O5 S |
| Smiles: | CC(NC1=NC(/C(=C\c2cc(c(c(c2)[Cl])OCc2ccc(cc2)C(O)=O)[Cl])S1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4328 |
| logD: | 1.4614 |
| logSw: | -4.4878 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.783 |
| InChI Key: | XWICAQACJOHWTB-UHFFFAOYSA-N |