ethyl 2-{2-[(2,6-dimethylpyrimidin-4-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[(2,6-dimethylpyrimidin-4-yl)sulfanyl]acetamido}benzoate
ethyl 2-{2-[(2,6-dimethylpyrimidin-4-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | D306-0045 |
| Compound Name: | ethyl 2-{2-[(2,6-dimethylpyrimidin-4-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 345.42 |
| Molecular Formula: | C17 H19 N3 O3 S |
| Smiles: | CCOC(c1ccccc1NC(CSc1cc(C)nc(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7351 |
| logD: | 2.7186 |
| logSw: | -3.2726 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.524 |
| InChI Key: | BDPBLNBSWVCVKD-UHFFFAOYSA-N |