methyl 4-(2-{[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | D360-0386 |
| Compound Name: | methyl 4-(2-{[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 417.49 |
| Molecular Formula: | C23 H19 N3 O3 S |
| Smiles: | Cc1ccc(cc1)c1ccc(C#N)c(n1)SCC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2234 |
| logD: | 5.2233 |
| logSw: | -5.0442 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.822 |
| InChI Key: | ZOEJSWJKVUOWDB-UHFFFAOYSA-N |