3-ethyl-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}-1H-pyrazol-5-olate
Chemical Structure Depiction of
3-ethyl-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}-1H-pyrazol-5-olate
3-ethyl-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}-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V011-4643 |
| Compound Name: | 3-ethyl-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}-1H-pyrazol-5-olate |
| Molecular Weight: | 500.5 |
| Molecular Formula: | C28 H22 F2 N4 O3 |
| Salt: | not_available |
| Smiles: | CCc1c(C2=C(C(N(Cc3ccc(cc3)F)C2=O)=O)[n+]2cccc(C)c2)c(n(c2ccc(cc2)F)n1)[O-] |
| Stereo: | ACHIRAL |
| logP: | 4.2077 |
| logD: | 4.2077 |
| logSw: | -4.0797 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.809 |
| InChI Key: | RFRNBBWJXDJKLZ-UHFFFAOYSA-N |