6-({2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl}sulfanyl)pyridine-3-carboxylic acid
Chemical Structure Depiction of
6-({2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl}sulfanyl)pyridine-3-carboxylic acid
6-({2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl}sulfanyl)pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | D112-0058 |
| Compound Name: | 6-({2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl}sulfanyl)pyridine-3-carboxylic acid |
| Molecular Weight: | 372.32 |
| Molecular Formula: | C15 H11 F3 N2 O4 S |
| Smiles: | C(C(Nc1ccc(cc1)OC(F)(F)F)=O)Sc1ccc(cn1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6752 |
| logD: | 0.8003 |
| logSw: | -3.8944 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.96 |
| InChI Key: | PLNZNUMYRUNMKR-UHFFFAOYSA-N |