methyl 3-{2-[(2,6-dimethylpyrimidin-4-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 3-{2-[(2,6-dimethylpyrimidin-4-yl)sulfanyl]acetamido}benzoate
methyl 3-{2-[(2,6-dimethylpyrimidin-4-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | D306-0038 |
| Compound Name: | methyl 3-{2-[(2,6-dimethylpyrimidin-4-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 331.39 |
| Molecular Formula: | C16 H17 N3 O3 S |
| Smiles: | Cc1cc(nc(C)n1)SCC(Nc1cccc(c1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7382 |
| logD: | 2.7372 |
| logSw: | -3.1703 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.642 |
| InChI Key: | APYWOQNXRMHPCA-UHFFFAOYSA-N |