2-chlorophenyl 2-{[(4-methylphenyl)methyl]sulfanyl}pyridine-3-carboxylate
Chemical Structure Depiction of
2-chlorophenyl 2-{[(4-methylphenyl)methyl]sulfanyl}pyridine-3-carboxylate
2-chlorophenyl 2-{[(4-methylphenyl)methyl]sulfanyl}pyridine-3-carboxylate
Compound characteristics
| Compound ID: | K786-2004 |
| Compound Name: | 2-chlorophenyl 2-{[(4-methylphenyl)methyl]sulfanyl}pyridine-3-carboxylate |
| Molecular Weight: | 369.87 |
| Molecular Formula: | C20 H16 Cl N O2 S |
| Smiles: | Cc1ccc(CSc2c(cccn2)C(=O)Oc2ccccc2[Cl])cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0866 |
| logD: | 5.0866 |
| logSw: | -5.2001 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 29.6106 |
| InChI Key: | DVQRXWNVQRNVAG-UHFFFAOYSA-N |