3-methyl-4-[1-(3-methylphenyl)-4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-phenyl-1H-pyrazol-5-olate
Chemical Structure Depiction of
3-methyl-4-[1-(3-methylphenyl)-4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-phenyl-1H-pyrazol-5-olate
3-methyl-4-[1-(3-methylphenyl)-4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-phenyl-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V029-5208 |
| Compound Name: | 3-methyl-4-[1-(3-methylphenyl)-4-(3-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-phenyl-1H-pyrazol-5-olate |
| Molecular Weight: | 450.5 |
| Molecular Formula: | C27 H22 N4 O3 |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)N1C(C(=C(C1=O)[n+]1cccc(C)c1)c1c(C)nn(c2ccccc2)c1[O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3427 |
| logD: | 3.3427 |
| logSw: | -3.3361 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.508 |
| InChI Key: | LAHGTBRFVZJJFN-UHFFFAOYSA-N |