1-(4-chlorophenyl)-4-[1-(2-fluorophenyl)-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-chlorophenyl)-4-[1-(2-fluorophenyl)-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-chlorophenyl)-4-[1-(2-fluorophenyl)-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: | V011-4010 |
| Compound Name: | 1-(4-chlorophenyl)-4-[1-(2-fluorophenyl)-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: | 488.9 |
| Molecular Formula: | C26 H18 Cl F N4 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc[n+](c1)C1=C(C(N(C1=O)c1ccccc1F)=O)c1c(C)nn(c2ccc(cc2)[Cl])c1[O-] |
| Stereo: | ACHIRAL |
| logP: | 3.6625 |
| logD: | 3.6625 |
| logSw: | -4.4304 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.207 |
| InChI Key: | KQCCKXDGBUZYFW-UHFFFAOYSA-N |