2-chlorophenyl 2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate
Chemical Structure Depiction of
2-chlorophenyl 2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate
2-chlorophenyl 2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate
Compound characteristics
| Compound ID: | K786-1994 |
| Compound Name: | 2-chlorophenyl 2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate |
| Molecular Weight: | 447.34 |
| Molecular Formula: | C21 H16 Cl2 N2 O3 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSc1c(cccn1)C(=O)Oc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7289 |
| logD: | 5.7287 |
| logSw: | -5.7871 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.76 |
| InChI Key: | CGFDEQURXCPQLD-UHFFFAOYSA-N |