methyl 4-{2-[5-cyano-2-(4-fluorophenyl)-6-oxopyrimidin-1(6H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[5-cyano-2-(4-fluorophenyl)-6-oxopyrimidin-1(6H)-yl]acetamido}benzoate
methyl 4-{2-[5-cyano-2-(4-fluorophenyl)-6-oxopyrimidin-1(6H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | M045-0302 |
| Compound Name: | methyl 4-{2-[5-cyano-2-(4-fluorophenyl)-6-oxopyrimidin-1(6H)-yl]acetamido}benzoate |
| Molecular Weight: | 406.37 |
| Molecular Formula: | C21 H15 F N4 O4 |
| Smiles: | COC(c1ccc(cc1)NC(CN1C(c2ccc(cc2)F)=NC=C(C#N)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5272 |
| logD: | 2.5271 |
| logSw: | -2.9186 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.718 |
| InChI Key: | WXIRYPJROQQQSX-UHFFFAOYSA-N |