dimethyl 5-{2-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{2-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylate
dimethyl 5-{2-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 5742-1133 |
| Compound Name: | dimethyl 5-{2-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylate |
| Molecular Weight: | 453.47 |
| Molecular Formula: | C22 H19 N3 O6 S |
| Smiles: | COC(c1cc(cc(c1)NC(CSC1NC(C=C(c2ccccc2)N=1)=O)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2401 |
| logD: | 2.7909 |
| logSw: | -3.5753 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.027 |
| InChI Key: | CGJSSXBDSBQANY-UHFFFAOYSA-N |