1-(4-fluorophenyl)-3-methyl-4-{4-(4-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-[(oxolan-2-yl)methyl]-2,5-dihydro-1H-pyrrol-3-yl}-1H-pyrazol-5-olate
Chemical Structure Depiction of
1-(4-fluorophenyl)-3-methyl-4-{4-(4-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-[(oxolan-2-yl)methyl]-2,5-dihydro-1H-pyrrol-3-yl}-1H-pyrazol-5-olate
1-(4-fluorophenyl)-3-methyl-4-{4-(4-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-[(oxolan-2-yl)methyl]-2,5-dihydro-1H-pyrrol-3-yl}-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V026-6308 |
| Compound Name: | 1-(4-fluorophenyl)-3-methyl-4-{4-(4-methylpyridin-1-ium-1-yl)-2,5-dioxo-1-[(oxolan-2-yl)methyl]-2,5-dihydro-1H-pyrrol-3-yl}-1H-pyrazol-5-olate |
| Molecular Weight: | 462.48 |
| Molecular Formula: | C25 H23 F N4 O4 |
| Smiles: | Cc1cc[n+](cc1)C1=C(C(N(CC2CCCO2)C1=O)=O)c1c(C)nn(c2ccc(cc2)F)c1[O-] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5847 |
| logD: | 1.5847 |
| logSw: | -1.8221 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.881 |
| InChI Key: | ASAIFAFFQNLYQO-LJQANCHMSA-N |