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
| 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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