methyl 2-{2-[5-fluoro-6-(methylsulfanyl)-2-oxopyrimidin-1(2H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[5-fluoro-6-(methylsulfanyl)-2-oxopyrimidin-1(2H)-yl]acetamido}benzoate
methyl 2-{2-[5-fluoro-6-(methylsulfanyl)-2-oxopyrimidin-1(2H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | 8017-1899 |
| Compound Name: | methyl 2-{2-[5-fluoro-6-(methylsulfanyl)-2-oxopyrimidin-1(2H)-yl]acetamido}benzoate |
| Molecular Weight: | 351.35 |
| Molecular Formula: | C15 H14 F N3 O4 S |
| Smiles: | COC(c1ccccc1NC(CN1C(=C(C=NC1=O)F)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2011 |
| logD: | 2.1898 |
| logSw: | -3.0304 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.83 |
| InChI Key: | CNZABEHOVRASGJ-UHFFFAOYSA-N |