AC1O00GJ
methyl 4-[(E)-[1-[3-(diethylamino)propyl]-2-(4-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: methyl 4-({1-[3-(diethylamino)propyl]-2-(4-fluorophenyl)-4-hydroxy-5-oxo(3-pyr rolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate|methyl 4-(1-(3-(diethylamino)propyl)-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate|methyl 4-[(E)-[1-[3-(diethylamino)propyl]-2-(4-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C26H32FN3O5 |
|---|---|
| Molecular Weight | 485.2326 g/mol |
| LogP | 3.71084 |
| Topological Polar Surface Area | 102.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 485.2326 |
| Monoisotopic Mass | 485.2326 |
| Heavy Atoms | 35 |
| Complexity | 1148.4823 |
Chemical Identifiers
| CAS Number | 797795-47-2 |
|---|---|
| SMILES | CCN(CC)CCCN1C(/C(=C(/C2=C(NC(=C2C)C(=O)OC)C)\O)/C(=O)C1=O)C3=CC=C(C=C3)F |
Product Overview
AC1O00GJ (CAS 797795-47-2), with molecular formula C26H32FN3O5 and molecular weight 485.2326 g/mol. IUPAC: methyl 4-[(E)-[1-[3-(diethylamino)propyl]-2-(4-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
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