AC1NQPGX
[2-(3-fluorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]-(5-methyl-1-phenylpyrazol-4-yl)methanolate
Also Known As: [2-(3-fluorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]-(5-methyl-1-phenylpyrazol-4-yl)methanolate|{2-(3-Fluorophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanolate
CAS: 5684-63-9
| Molecular Formula | C28H29FN4O4 |
|---|---|
| Molecular Weight | 504.2173 g/mol |
| LogP | 0.84902 |
| Topological Polar Surface Area | 91.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 504.2173 |
| Monoisotopic Mass | 504.2173 |
| Heavy Atoms | 37 |
| Complexity | 1330.96 |
Chemical Identifiers
| CAS Number | 5684-63-9 |
|---|---|
| SMILES | CC1=C(C=NN1C2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CCC[NH+]4CCOCC4)C5=CC(=CC=C5)F)[O-] |
Product Overview
AC1NQPGX (CAS 5684-63-9), with molecular formula C28H29FN4O4 and molecular weight 504.2173 g/mol. IUPAC: [2-(3-fluorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]-(5-methyl-1-phenylpyrazol-4-yl)methanolate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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