AC1NZZ57
methyl 4-[(E)-[1-[3-(dimethylamino)propyl]-2-(4-ethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: methyl 4-({1-[3-(dimethylamino)propyl]-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo(3-py rrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate|methyl 4-(1-(3-(dimethylamino)propyl)-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate|methyl 4-[(E)-[1-[3-(dimethylamino)propyl]-2-(4-ethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C26H33N3O6 |
|---|---|
| Molecular Weight | 483.23694 g/mol |
| LogP | 3.19024 |
| Topological Polar Surface Area | 112.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 483.23694 |
| Monoisotopic Mass | 483.23694 |
| Heavy Atoms | 35 |
| Complexity | 1146.5822 |
Chemical Identifiers
| CAS Number | 577697-67-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2/C(=C(/C3=C(NC(=C3C)C(=O)OC)C)\O)/C(=O)C(=O)N2CCCN(C)C |
Product Overview
AC1NZZ57 (CAS 577697-67-7), with molecular formula C26H33N3O6 and molecular weight 483.23694 g/mol. IUPAC: methyl 4-[(E)-[1-[3-(dimethylamino)propyl]-2-(4-ethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.