3-ethyl-4-[4-(3-ethylpyridin-1-ium-1-yl)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-phenyl-1H-pyrazol-5-olate
Chemical Structure Depiction of
3-ethyl-4-[4-(3-ethylpyridin-1-ium-1-yl)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-phenyl-1H-pyrazol-5-olate
3-ethyl-4-[4-(3-ethylpyridin-1-ium-1-yl)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-phenyl-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V029-5239 |
| Compound Name: | 3-ethyl-4-[4-(3-ethylpyridin-1-ium-1-yl)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-phenyl-1H-pyrazol-5-olate |
| Molecular Weight: | 444.53 |
| Molecular Formula: | C26 H28 N4 O3 |
| Smiles: | CCc1ccc[n+](c1)C1=C(C(N(CC(C)C)C1=O)=O)c1c(CC)nn(c2ccccc2)c1[O-] |
| Stereo: | ACHIRAL |
| logP: | 4.1251 |
| logD: | 4.1251 |
| logSw: | -3.9186 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.08 |
| InChI Key: | ULZSRWPJGWLTBA-UHFFFAOYSA-N |