ethyl 2-{[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate
ethyl 2-{[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate
Compound characteristics
| Compound ID: | K786-1996 |
| Compound Name: | ethyl 2-{[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate |
| Molecular Weight: | 413.26 |
| Molecular Formula: | C16 H14 Br F N2 O3 S |
| Smiles: | CCOC(c1cccnc1SCC(Nc1ccc(cc1F)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7134 |
| logD: | 3.7058 |
| logSw: | -3.9392 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.351 |
| InChI Key: | PWUMGTXZLYQDSG-UHFFFAOYSA-N |