1-(3-chlorophenyl)-4-[4-(3,4-dimethylpyridin-1-ium-1-yl)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-(propan-2-yl)-1H-pyrazol-5-olate

Chemical Structure Depiction of
1-(3-chlorophenyl)-4-[4-(3,4-dimethylpyridin-1-ium-1-yl)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-(propan-2-yl)-1H-pyrazol-5-olate
Available: 3 mg
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mg
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Compound characteristics

Compound ID: V026-8274
Compound Name: 1-(3-chlorophenyl)-4-[4-(3,4-dimethylpyridin-1-ium-1-yl)-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-(propan-2-yl)-1H-pyrazol-5-olate
Molecular Weight: 493.01
Molecular Formula: C27 H29 Cl N4 O3
Salt: not_available
Smiles: CC(C)CN1C(C(=C(C1=O)[n+]1ccc(C)c(C)c1)c1c(C(C)C)nn(c2cccc(c2)[Cl])c1[O-])=O
Stereo: ACHIRAL
logP: 5.7959
logD: 5.7959
logSw: -5.6389
Hydrogen bond acceptors count: 7
Polar surface area: 62.585
InChI Key: IMFPOKGQGVJHJC-UHFFFAOYSA-N
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