5-bromo-2-(2-{[(4-chlorophenyl)methyl]sulfanyl}acetamido)benzoic acid
Chemical Structure Depiction of
5-bromo-2-(2-{[(4-chlorophenyl)methyl]sulfanyl}acetamido)benzoic acid
5-bromo-2-(2-{[(4-chlorophenyl)methyl]sulfanyl}acetamido)benzoic acid
Compound characteristics
| Compound ID: | 8009-8595 |
| Compound Name: | 5-bromo-2-(2-{[(4-chlorophenyl)methyl]sulfanyl}acetamido)benzoic acid |
| Molecular Weight: | 414.7 |
| Molecular Formula: | C16 H13 Br Cl N O3 S |
| Smiles: | C(C(Nc1ccc(cc1C(O)=O)[Br])=O)SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.6187 |
| logD: | 0.0796 |
| logSw: | -4.5566 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.826 |
| InChI Key: | WXLLMRHXTHMFQQ-UHFFFAOYSA-N |