1-(3,4-dichlorophenyl)-3-ethyl-4-[4-(3-ethylpyridin-1-ium-1-yl)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]-1H-pyrazol-5-olate
Chemical Structure Depiction of
1-(3,4-dichlorophenyl)-3-ethyl-4-[4-(3-ethylpyridin-1-ium-1-yl)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]-1H-pyrazol-5-olate
1-(3,4-dichlorophenyl)-3-ethyl-4-[4-(3-ethylpyridin-1-ium-1-yl)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V026-8223 |
| Compound Name: | 1-(3,4-dichlorophenyl)-3-ethyl-4-[4-(3-ethylpyridin-1-ium-1-yl)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]-1H-pyrazol-5-olate |
| Molecular Weight: | 499.4 |
| Molecular Formula: | C25 H24 Cl2 N4 O3 |
| Smiles: | CCc1ccc[n+](c1)C1=C(C(N(C(C)C)C1=O)=O)c1c(CC)nn(c2ccc(c(c2)[Cl])[Cl])c1[O-] |
| Stereo: | ACHIRAL |
| logP: | 5.0018 |
| logD: | 5.0018 |
| logSw: | -4.8663 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.801 |
| InChI Key: | PUKCWMSBXXRNNE-UHFFFAOYSA-N |