1-(4-chlorophenyl)-4-[4-(3-ethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1H-pyrazol-5-olate
Chemical Structure Depiction of
1-(4-chlorophenyl)-4-[4-(3-ethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1H-pyrazol-5-olate
1-(4-chlorophenyl)-4-[4-(3-ethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V027-1013 |
| Compound Name: | 1-(4-chlorophenyl)-4-[4-(3-ethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1H-pyrazol-5-olate |
| Molecular Weight: | 498.97 |
| Molecular Formula: | C28 H23 Cl N4 O3 |
| Salt: | not_available |
| Smiles: | CCc1ccc[n+](c1)C1=C(C(N(C1=O)c1cccc(C)c1)=O)c1c(C)nn(c2ccc(cc2)[Cl])c1[O-] |
| Stereo: | ACHIRAL |
| logP: | 4.5168 |
| logD: | 4.5168 |
| logSw: | -4.6425 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.508 |
| InChI Key: | WMLIYYPUKREARY-UHFFFAOYSA-N |