1-(3,4-dichlorophenyl)-4-[4-(3-ethylpyridin-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-ethylpyridin-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-ethylpyridin-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: | V011-5500 |
| Compound Name: | 1-(3,4-dichlorophenyl)-4-[4-(3-ethylpyridin-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: | CCc1ccc[n+](c1)C1=C(C(N(C(C)C)C1=O)=O)c1c(C)nn(c2ccc(c(c2)[Cl])[Cl])c1[O-] |
| Stereo: | ACHIRAL |
| logP: | 4.2866 |
| logD: | 4.2866 |
| logSw: | -4.3064 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.112 |
| InChI Key: | GXSIPSAQJYZVFU-UHFFFAOYSA-N |