5-bromo-2-(2-{[(2,4-dichlorophenyl)methyl]sulfanyl}acetamido)benzoic acid
Chemical Structure Depiction of
5-bromo-2-(2-{[(2,4-dichlorophenyl)methyl]sulfanyl}acetamido)benzoic acid
5-bromo-2-(2-{[(2,4-dichlorophenyl)methyl]sulfanyl}acetamido)benzoic acid
Compound characteristics
| Compound ID: | 8009-8598 |
| Compound Name: | 5-bromo-2-(2-{[(2,4-dichlorophenyl)methyl]sulfanyl}acetamido)benzoic acid |
| Molecular Weight: | 449.15 |
| Molecular Formula: | C16 H12 Br Cl2 N O3 S |
| Smiles: | C(C(Nc1ccc(cc1C(O)=O)[Br])=O)SCc1ccc(cc1[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.5902 |
| logD: | 1.0511 |
| logSw: | -5.5914 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.826 |
| InChI Key: | XSXTYVLJSMXYDM-UHFFFAOYSA-N |