ethyl 3-{2-[(2,6-dimethylpyrimidin-4-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 3-{2-[(2,6-dimethylpyrimidin-4-yl)sulfanyl]acetamido}benzoate
ethyl 3-{2-[(2,6-dimethylpyrimidin-4-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | D306-0050 |
| Compound Name: | ethyl 3-{2-[(2,6-dimethylpyrimidin-4-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 345.42 |
| Molecular Formula: | C17 H19 N3 O3 S |
| Smiles: | CCOC(c1cccc(c1)NC(CSc1cc(C)nc(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2489 |
| logD: | 3.2479 |
| logSw: | -3.2973 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.221 |
| InChI Key: | ZHJILFBDBSQEDN-UHFFFAOYSA-N |