methyl 2-{2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 8017-5859 |
| Compound Name: | methyl 2-{2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 355.41 |
| Molecular Formula: | C18 H17 N3 O3 S |
| Smiles: | Cc1cc(C)nc(c1C#N)SCC(Nc1ccccc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8837 |
| logD: | 2.8682 |
| logSw: | -3.379 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.202 |
| InChI Key: | PMDFVBGKOGWVJX-UHFFFAOYSA-N |