methyl 4-{2-[(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | D306-0039 |
| Compound Name: | methyl 4-{2-[(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 393.46 |
| Molecular Formula: | C21 H19 N3 O3 S |
| Smiles: | Cc1nc(cc(n1)SCC(Nc1ccc(cc1)C(=O)OC)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4644 |
| logD: | 4.4634 |
| logSw: | -4.3245 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.564 |
| InChI Key: | NMGHLSGHZUQENT-UHFFFAOYSA-N |