1-(3,4-dichlorophenyl)-3-ethyl-4-[1-(2-methylpropyl)-4-(4-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-pyrazol-5-olate
Chemical Structure Depiction of
1-(3,4-dichlorophenyl)-3-ethyl-4-[1-(2-methylpropyl)-4-(4-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-pyrazol-5-olate
1-(3,4-dichlorophenyl)-3-ethyl-4-[1-(2-methylpropyl)-4-(4-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-pyrazol-5-olate
Compound characteristics
| Compound ID: | V026-5088 |
| Compound Name: | 1-(3,4-dichlorophenyl)-3-ethyl-4-[1-(2-methylpropyl)-4-(4-methylpyridin-1-ium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-pyrazol-5-olate |
| Molecular Weight: | 499.4 |
| Molecular Formula: | C25 H24 Cl2 N4 O3 |
| Salt: | not_available |
| Smiles: | CCc1c(C2=C(C(N(CC(C)C)C2=O)=O)[n+]2ccc(C)cc2)c(n(c2ccc(c(c2)[Cl])[Cl])n1)[O-] |
| Stereo: | ACHIRAL |
| logP: | 4.8013 |
| logD: | 4.8013 |
| logSw: | -4.5431 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.187 |
| InChI Key: | UMIHKTUUJLRSDL-UHFFFAOYSA-N |