4-{4-(3-ethylpyridin-1-ium-1-yl)-2,5-dioxo-1-[(oxolan-2-yl)methyl]-2,5-dihydro-1H-pyrrol-3-yl}-3-methyl-1-phenyl-1H-pyrazol-5-olate
Chemical Structure Depiction of
4-{4-(3-ethylpyridin-1-ium-1-yl)-2,5-dioxo-1-[(oxolan-2-yl)methyl]-2,5-dihydro-1H-pyrrol-3-yl}-3-methyl-1-phenyl-1H-pyrazol-5-olate
4-{4-(3-ethylpyridin-1-ium-1-yl)-2,5-dioxo-1-[(oxolan-2-yl)methyl]-2,5-dihydro-1H-pyrrol-3-yl}-3-methyl-1-phenyl-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V010-2574 |
| Compound Name: | 4-{4-(3-ethylpyridin-1-ium-1-yl)-2,5-dioxo-1-[(oxolan-2-yl)methyl]-2,5-dihydro-1H-pyrrol-3-yl}-3-methyl-1-phenyl-1H-pyrazol-5-olate |
| Molecular Weight: | 458.52 |
| Molecular Formula: | C26 H26 N4 O4 |
| Salt: | not_available |
| Smiles: | CCc1ccc[n+](c1)C1=C(C(N(CC2CCCO2)C1=O)=O)c1c(C)nn(c2ccccc2)c1[O-] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2133 |
| logD: | 2.2133 |
| logSw: | -2.1204 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.774 |
| InChI Key: | BEVCDMXDFBKIGN-HXUWFJFHSA-N |