4-({4-[(2-acetamido-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]-2-bromophenoxy}methyl)benzoic acid
Chemical Structure Depiction of
4-({4-[(2-acetamido-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]-2-bromophenoxy}methyl)benzoic acid
4-({4-[(2-acetamido-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]-2-bromophenoxy}methyl)benzoic acid
Compound characteristics
| Compound ID: | 5791-5745 |
| Compound Name: | 4-({4-[(2-acetamido-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]-2-bromophenoxy}methyl)benzoic acid |
| Molecular Weight: | 475.32 |
| Molecular Formula: | C20 H15 Br N2 O5 S |
| Smiles: | CC(NC1=NC(/C(=C\c2ccc(c(c2)[Br])OCc2ccc(cc2)C(O)=O)S1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2354 |
| logD: | 0.2639 |
| logSw: | -3.3114 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.696 |
| InChI Key: | ZJMNLCWBOHBZOB-UHFFFAOYSA-N |