methyl 2-{2-[(5-chloro-3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(5-chloro-3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(5-chloro-3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 8017-5856 |
| Compound Name: | methyl 2-{2-[(5-chloro-3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 389.86 |
| Molecular Formula: | C18 H16 Cl N3 O3 S |
| Smiles: | Cc1c(C#N)c(nc(C)c1[Cl])SCC(Nc1ccccc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7504 |
| logD: | 3.7348 |
| logSw: | -4.8097 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.973 |
| InChI Key: | QAKALAFQCQTKDQ-UHFFFAOYSA-N |