1-(3,4-dichlorophenyl)-4-[4-(3,4-dimethylpyridin-1-ium-1-yl)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1H-pyrazol-5-olate
Chemical Structure Depiction of
1-(3,4-dichlorophenyl)-4-[4-(3,4-dimethylpyridin-1-ium-1-yl)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1H-pyrazol-5-olate
1-(3,4-dichlorophenyl)-4-[4-(3,4-dimethylpyridin-1-ium-1-yl)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V009-2604 |
| Compound Name: | 1-(3,4-dichlorophenyl)-4-[4-(3,4-dimethylpyridin-1-ium-1-yl)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1H-pyrazol-5-olate |
| Molecular Weight: | 485.37 |
| Molecular Formula: | C24 H22 Cl2 N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)N1C(C(=C(C1=O)[n+]1ccc(C)c(C)c1)c1c(C)nn(c2ccc(c(c2)[Cl])[Cl])c1[O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3589 |
| logD: | 4.3589 |
| logSw: | -4.2744 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.112 |
| InChI Key: | KWZYLGJKJBNZJS-UHFFFAOYSA-N |