4-[4-(3,4-dimethylpyridin-1-ium-1-yl)-2,5-dioxo-1-propyl-2,5-dihydro-1H-pyrrol-3-yl]-1-phenyl-3-(propan-2-yl)-1H-pyrazol-5-olate
Chemical Structure Depiction of
4-[4-(3,4-dimethylpyridin-1-ium-1-yl)-2,5-dioxo-1-propyl-2,5-dihydro-1H-pyrrol-3-yl]-1-phenyl-3-(propan-2-yl)-1H-pyrazol-5-olate
4-[4-(3,4-dimethylpyridin-1-ium-1-yl)-2,5-dioxo-1-propyl-2,5-dihydro-1H-pyrrol-3-yl]-1-phenyl-3-(propan-2-yl)-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V029-5250 |
| Compound Name: | 4-[4-(3,4-dimethylpyridin-1-ium-1-yl)-2,5-dioxo-1-propyl-2,5-dihydro-1H-pyrrol-3-yl]-1-phenyl-3-(propan-2-yl)-1H-pyrazol-5-olate |
| Molecular Weight: | 444.53 |
| Molecular Formula: | C26 H28 N4 O3 |
| Salt: | not_available |
| Smiles: | CCCN1C(C(=C(C1=O)[n+]1ccc(C)c(C)c1)c1c(C(C)C)nn(c2ccccc2)c1[O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5879 |
| logD: | 4.5879 |
| logSw: | -4.1616 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.563 |
| InChI Key: | AIZUTGYDXNIAOZ-UHFFFAOYSA-N |