3-ethyl-4-{4-(3-ethylpyridin-1-ium-1-yl)-2,5-dioxo-1-[(oxolan-2-yl)methyl]-2,5-dihydro-1H-pyrrol-3-yl}-1-(4-fluorophenyl)-1H-pyrazol-5-olate
Chemical Structure Depiction of
3-ethyl-4-{4-(3-ethylpyridin-1-ium-1-yl)-2,5-dioxo-1-[(oxolan-2-yl)methyl]-2,5-dihydro-1H-pyrrol-3-yl}-1-(4-fluorophenyl)-1H-pyrazol-5-olate
3-ethyl-4-{4-(3-ethylpyridin-1-ium-1-yl)-2,5-dioxo-1-[(oxolan-2-yl)methyl]-2,5-dihydro-1H-pyrrol-3-yl}-1-(4-fluorophenyl)-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V013-9289 |
| Compound Name: | 3-ethyl-4-{4-(3-ethylpyridin-1-ium-1-yl)-2,5-dioxo-1-[(oxolan-2-yl)methyl]-2,5-dihydro-1H-pyrrol-3-yl}-1-(4-fluorophenyl)-1H-pyrazol-5-olate |
| Molecular Weight: | 490.53 |
| Molecular Formula: | C27 H27 F N4 O4 |
| Smiles: | CCc1ccc[n+](c1)C1=C(C(N(CC2CCCO2)C1=O)=O)c1c(CC)nn(c2ccc(cc2)F)c1[O-] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0792 |
| logD: | 3.0792 |
| logSw: | -2.8094 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.463 |
| InChI Key: | FEMPSSYCYQBFCB-HXUWFJFHSA-N |