ethyl 2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate
ethyl 2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate
Compound characteristics
| Compound ID: | K786-1992 |
| Compound Name: | ethyl 2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate |
| Molecular Weight: | 364.85 |
| Molecular Formula: | C17 H17 Cl N2 O3 S |
| Smiles: | CCOC(c1cccnc1SCC(Nc1ccc(C)c(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.423 |
| logD: | 4.4229 |
| logSw: | -4.558 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.049 |
| InChI Key: | OFTCAFUKWNKBQT-UHFFFAOYSA-N |