1-(4-fluorophenyl)-4-[1-(4-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-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: | V010-2543 |
| Compound Name: | 1-(4-fluorophenyl)-4-[1-(4-methoxyphenyl)-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: | 484.49 |
| Molecular Formula: | C27 H21 F N4 O4 |
| Salt: | not_available |
| Smiles: | Cc1ccc[n+](c1)C1=C(C(N(C1=O)c1ccc(cc1)OC)=O)c1c(C)nn(c2ccc(cc2)F)c1[O-] |
| Stereo: | ACHIRAL |
| logP: | 2.9773 |
| logD: | 2.9773 |
| logSw: | -2.9517 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.052 |
| InChI Key: | BZJONFVJUXILKN-UHFFFAOYSA-N |