diethyl 2-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-6-hydroxypyridine-3,5-dicarboxylate
Chemical Structure Depiction of
diethyl 2-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-6-hydroxypyridine-3,5-dicarboxylate
diethyl 2-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-6-hydroxypyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | 8014-4794 |
| Compound Name: | diethyl 2-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-6-hydroxypyridine-3,5-dicarboxylate |
| Molecular Weight: | 483.34 |
| Molecular Formula: | C19 H19 Br N2 O6 S |
| Smiles: | CCOC(c1cc(C(=O)OCC)c(nc1O)SCC(Nc1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.388 |
| logD: | 4.1702 |
| logSw: | -4.1695 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.331 |
| InChI Key: | BLDBSWUSUAUZDJ-UHFFFAOYSA-N |