ethyl 2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)pyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)pyridine-3-carboxylate
ethyl 2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)pyridine-3-carboxylate
Compound characteristics
| Compound ID: | K786-1523 |
| Compound Name: | ethyl 2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)pyridine-3-carboxylate |
| Molecular Weight: | 358.46 |
| Molecular Formula: | C19 H22 N2 O3 S |
| Smiles: | CCOC(c1cccnc1SCC(Nc1ccc(cc1)C(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.371 |
| logD: | 4.371 |
| logSw: | -4.2032 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.049 |
| InChI Key: | FDSLZQMKCYAWQN-UHFFFAOYSA-N |