ethyl 4-(2-{[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | D360-0461 |
| Compound Name: | ethyl 4-(2-{[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C24 H21 N3 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1c(C#N)ccc(c2ccc(C)cc2)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7341 |
| logD: | 5.734 |
| logSw: | -5.4167 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.402 |
| InChI Key: | XPKMYFMEKHOLNJ-UHFFFAOYSA-N |