4-[4-(3,4-dimethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-methyl-3-phenyl-1H-pyrazol-5-olate
Chemical Structure Depiction of
4-[4-(3,4-dimethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-methyl-3-phenyl-1H-pyrazol-5-olate
4-[4-(3,4-dimethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-methyl-3-phenyl-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V027-1094 |
| Compound Name: | 4-[4-(3,4-dimethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-methyl-3-phenyl-1H-pyrazol-5-olate |
| Molecular Weight: | 464.52 |
| Molecular Formula: | C28 H24 N4 O3 |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)N1C(C(=C(C1=O)[n+]1ccc(C)c(C)c1)c1c(c2ccccc2)nn(C)c1[O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7923 |
| logD: | 3.7923 |
| logSw: | -3.8981 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.852 |
| InChI Key: | FGEQWJYZAYCUAV-UHFFFAOYSA-N |