methyl 2-(2-{[3-cyano-6-(4-ethoxyphenyl)pyridin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[3-cyano-6-(4-ethoxyphenyl)pyridin-2-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[3-cyano-6-(4-ethoxyphenyl)pyridin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | D360-0292 |
| Compound Name: | methyl 2-(2-{[3-cyano-6-(4-ethoxyphenyl)pyridin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C24 H21 N3 O4 S |
| Smiles: | CCOc1ccc(cc1)c1ccc(C#N)c(n1)SCC(Nc1ccccc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8029 |
| logD: | 4.7873 |
| logSw: | -4.5146 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.248 |
| InChI Key: | QUIXSEPWYZGQRY-UHFFFAOYSA-N |