1-(4-fluorophenyl)-4-{1-[(4-fluorophenyl)methyl]-2,5-dioxo-4-(pyridin-1-ium-1-yl)-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]-2,5-dioxo-4-(pyridin-1-ium-1-yl)-2,5-dihydro-1H-pyrrol-3-yl}-3-methyl-1H-pyrazol-5-olate
1-(4-fluorophenyl)-4-{1-[(4-fluorophenyl)methyl]-2,5-dioxo-4-(pyridin-1-ium-1-yl)-2,5-dihydro-1H-pyrrol-3-yl}-3-methyl-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V010-2532 |
| Compound Name: | 1-(4-fluorophenyl)-4-{1-[(4-fluorophenyl)methyl]-2,5-dioxo-4-(pyridin-1-ium-1-yl)-2,5-dihydro-1H-pyrrol-3-yl}-3-methyl-1H-pyrazol-5-olate |
| Molecular Weight: | 472.45 |
| Molecular Formula: | C26 H18 F2 N4 O3 |
| Salt: | not_available |
| Smiles: | Cc1c(C2=C(C(N(Cc3ccc(cc3)F)C2=O)=O)[n+]2ccccc2)c(n(c2ccc(cc2)F)n1)[O-] |
| Stereo: | ACHIRAL |
| logP: | 2.7854 |
| logD: | 2.7854 |
| logSw: | -2.8314 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.227 |
| InChI Key: | WCBKTPGPOCSRPZ-UHFFFAOYSA-N |