4-[2,5-dioxo-1-(propan-2-yl)-4-(pyridin-1-ium-1-yl)-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-fluorophenyl)-3-(propan-2-yl)-1H-pyrazol-5-olate
Chemical Structure Depiction of
4-[2,5-dioxo-1-(propan-2-yl)-4-(pyridin-1-ium-1-yl)-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-fluorophenyl)-3-(propan-2-yl)-1H-pyrazol-5-olate
4-[2,5-dioxo-1-(propan-2-yl)-4-(pyridin-1-ium-1-yl)-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-fluorophenyl)-3-(propan-2-yl)-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V010-2073 |
| Compound Name: | 4-[2,5-dioxo-1-(propan-2-yl)-4-(pyridin-1-ium-1-yl)-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-fluorophenyl)-3-(propan-2-yl)-1H-pyrazol-5-olate |
| Molecular Weight: | 434.47 |
| Molecular Formula: | C24 H23 F N4 O3 |
| Smiles: | CC(C)c1c(C2=C(C(N(C(C)C)C2=O)=O)[n+]2ccccc2)c(n(c2ccc(cc2)F)n1)[O-] |
| Stereo: | ACHIRAL |
| logP: | 3.3746 |
| logD: | 3.3746 |
| logSw: | -3.5321 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.412 |
| InChI Key: | CSUNXXBYUTXFGE-UHFFFAOYSA-N |