4-[4-(3,4-dimethylpyridin-1-ium-1-yl)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-olate
Chemical Structure Depiction of
4-[4-(3,4-dimethylpyridin-1-ium-1-yl)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-olate
4-[4-(3,4-dimethylpyridin-1-ium-1-yl)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V005-8362 |
| Compound Name: | 4-[4-(3,4-dimethylpyridin-1-ium-1-yl)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-olate |
| Molecular Weight: | 486.48 |
| Molecular Formula: | C27 H20 F2 N4 O3 |
| Salt: | not_available |
| Smiles: | Cc1cc[n+](cc1C)C1=C(C(N(C1=O)c1ccc(cc1)F)=O)c1c(C)nn(c2ccc(cc2)F)c1[O-] |
| Stereo: | ACHIRAL |
| logP: | 3.554 |
| logD: | 3.554 |
| logSw: | -3.606 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.508 |
| InChI Key: | LSZOARMIQRWWKA-UHFFFAOYSA-N |