dimethyl 5-{2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylate
dimethyl 5-{2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 5742-1120 |
| Compound Name: | dimethyl 5-{2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylate |
| Molecular Weight: | 391.4 |
| Molecular Formula: | C17 H17 N3 O6 S |
| Smiles: | CC1=CC(NC(=N1)SCC(Nc1cc(cc(c1)C(=O)OC)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8926 |
| logD: | 1.1706 |
| logSw: | -2.5587 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.797 |
| InChI Key: | ACEHGLDUDSPAPV-UHFFFAOYSA-N |