1-(4-fluorophenyl)-4-[1-(4-methylphenyl)-2,5-dioxo-4-(pyridin-1-ium-1-yl)-2,5-dihydro-1H-pyrrol-3-yl]-3-(propan-2-yl)-1H-pyrazol-5-olate
Chemical Structure Depiction of
1-(4-fluorophenyl)-4-[1-(4-methylphenyl)-2,5-dioxo-4-(pyridin-1-ium-1-yl)-2,5-dihydro-1H-pyrrol-3-yl]-3-(propan-2-yl)-1H-pyrazol-5-olate
1-(4-fluorophenyl)-4-[1-(4-methylphenyl)-2,5-dioxo-4-(pyridin-1-ium-1-yl)-2,5-dihydro-1H-pyrrol-3-yl]-3-(propan-2-yl)-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V014-5355 |
| Compound Name: | 1-(4-fluorophenyl)-4-[1-(4-methylphenyl)-2,5-dioxo-4-(pyridin-1-ium-1-yl)-2,5-dihydro-1H-pyrrol-3-yl]-3-(propan-2-yl)-1H-pyrazol-5-olate |
| Molecular Weight: | 482.51 |
| Molecular Formula: | C28 H23 F N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)c1c(C2=C(C(N(C2=O)c2ccc(C)cc2)=O)[n+]2ccccc2)c(n(c2ccc(cc2)F)n1)[O-] |
| Stereo: | ACHIRAL |
| logP: | 4.269 |
| logD: | 4.269 |
| logSw: | -4.376 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.809 |
| InChI Key: | ZFGSAFZVVSRZDA-UHFFFAOYSA-N |