2-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)-N-pentylpyridine-3-carboxamide
Chemical Structure Depiction of
2-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)-N-pentylpyridine-3-carboxamide
2-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)-N-pentylpyridine-3-carboxamide
Compound characteristics
| Compound ID: | K845-0620 |
| Compound Name: | 2-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)-N-pentylpyridine-3-carboxamide |
| Molecular Weight: | 425.47 |
| Molecular Formula: | C20 H22 F3 N3 O2 S |
| Smiles: | CCCCCNC(c1cccnc1SCC(Nc1ccccc1C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2218 |
| logD: | 4.2218 |
| logSw: | -4.2529 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.124 |
| InChI Key: | UVWQCXADZXWRKK-UHFFFAOYSA-N |