methyl 3-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 3-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamido}benzoate
methyl 3-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | Y504-5814 |
| Compound Name: | methyl 3-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 331.39 |
| Molecular Formula: | C16 H17 N3 O3 S |
| Smiles: | Cc1cc(C)nc(n1)SCC(Nc1cccc(c1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8618 |
| logD: | 2.8618 |
| logSw: | -3.2882 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.196 |
| InChI Key: | IJVJZKVRQGSFJB-UHFFFAOYSA-N |