ethyl 2-({2-[2-chloro-4-(trifluoromethyl)anilino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 2-({2-[2-chloro-4-(trifluoromethyl)anilino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylate
ethyl 2-({2-[2-chloro-4-(trifluoromethyl)anilino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylate
Compound characteristics
| Compound ID: | K786-3107 |
| Compound Name: | ethyl 2-({2-[2-chloro-4-(trifluoromethyl)anilino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylate |
| Molecular Weight: | 418.82 |
| Molecular Formula: | C17 H14 Cl F3 N2 O3 S |
| Smiles: | CCOC(c1cccnc1SCC(Nc1ccc(cc1[Cl])C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1309 |
| logD: | 4.1308 |
| logSw: | -4.3944 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.351 |
| InChI Key: | HRRVPLSAXKBKPZ-UHFFFAOYSA-N |