2-{2-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]ethenyl}-6-hydroxy-5-nitropyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{2-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]ethenyl}-6-hydroxy-5-nitropyrimidin-4(3H)-one
2-{2-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]ethenyl}-6-hydroxy-5-nitropyrimidin-4(3H)-one
Compound characteristics
Compound ID: | 8017-4586 |
Compound Name: | 2-{2-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]ethenyl}-6-hydroxy-5-nitropyrimidin-4(3H)-one |
Molecular Weight: | 343.27 |
Molecular Formula: | C15 H10 F N5 O4 |
Smiles: | C(=C/c1c[nH]nc1c1ccc(cc1)F)\C1NC(C(=C(N=1)O)[N+]([O-])=O)=O |
Stereo: | ACHIRAL |
logP: | 1.5871 |
logD: | -6.9209 |
logSw: | -2.1271 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 108.561 |
InChI Key: | PKOGYYHXMNPAIS-UHFFFAOYSA-N |