2-chlorophenyl 2-({2-[3-(methylsulfanyl)anilino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylate
Chemical Structure Depiction of
2-chlorophenyl 2-({2-[3-(methylsulfanyl)anilino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylate
2-chlorophenyl 2-({2-[3-(methylsulfanyl)anilino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylate
Compound characteristics
| Compound ID: | K786-3099 |
| Compound Name: | 2-chlorophenyl 2-({2-[3-(methylsulfanyl)anilino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylate |
| Molecular Weight: | 444.96 |
| Molecular Formula: | C21 H17 Cl N2 O3 S2 |
| Smiles: | CSc1cccc(c1)NC(CSc1c(cccn1)C(=O)Oc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7996 |
| logD: | 4.7996 |
| logSw: | -4.8578 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.76 |
| InChI Key: | BQFBDOGQEYNTEI-UHFFFAOYSA-N |