1-(4-fluorophenyl)-4-{1-[(4-fluorophenyl)methyl]-4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}-3-methyl-1H-pyrazol-5-olate
Chemical Structure Depiction of
1-(4-fluorophenyl)-4-{1-[(4-fluorophenyl)methyl]-4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}-3-methyl-1H-pyrazol-5-olate
1-(4-fluorophenyl)-4-{1-[(4-fluorophenyl)methyl]-4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}-3-methyl-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V011-4653 |
| Compound Name: | 1-(4-fluorophenyl)-4-{1-[(4-fluorophenyl)methyl]-4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}-3-methyl-1H-pyrazol-5-olate |
| Molecular Weight: | 486.48 |
| Molecular Formula: | C27 H20 F2 N4 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc[n+](c1)C1=C(C(N(Cc2ccc(cc2)F)C1=O)=O)c1c(C)nn(c2ccc(cc2)F)c1[O-] |
| Stereo: | ACHIRAL |
| logP: | 3.4925 |
| logD: | 3.4925 |
| logSw: | -3.4366 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.12 |
| InChI Key: | RIHRZATYLJHTIU-UHFFFAOYSA-N |