methyl 4-{2-[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | G856-8124 |
| Compound Name: | methyl 4-{2-[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 333.36 |
| Molecular Formula: | C15 H15 N3 O4 S |
| Smiles: | CC1=CC(=NC(N1)=O)SCC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7513 |
| logD: | 1.6875 |
| logSw: | -2.3697 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.403 |
| InChI Key: | CRPNGRGOTOZCQT-UHFFFAOYSA-N |