AC1NZ8FE structure

AC1NZ8FE

ethyl 4-[(E)-[2-(2-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Also Known As: ethyl 4-(2-(2-fluorophenyl)-4-hydroxy-1-(3-morpholinopropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate|ethyl 4-[(E)-[2-(2-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate|ethyl 4-{[2-(2-fluorophenyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-5-oxo(3-pyrr olin-3-yl)]carbonyl}-3,5-dimethylpyrrole-2-carboxylate

CAS: 847243-84-9
Molecular Formula C27H32FN3O6
Molecular Weight 513.22754 g/mol
LogP 3.09134
Topological Polar Surface Area 112.17 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
Rotatable Bonds 8
Exact Mass 513.22754
Monoisotopic Mass 513.22754
Heavy Atoms 37
Complexity 1230.7249

Chemical Identifiers

CAS Number 847243-84-9
SMILES CCOC(=O)C1=C(C(=C(N1)C)/C(=C\2/C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=CC=C4F)/O)C

Product Overview

AC1NZ8FE (CAS 847243-84-9), with molecular formula C27H32FN3O6 and molecular weight 513.22754 g/mol. IUPAC: ethyl 4-[(E)-[2-(2-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.

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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.
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