AC1O2ONQ
ethyl 4-[(E)-[1-[3-(dimethylamino)propyl]-4,5-dioxo-2-(4-propan-2-ylphenyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: ethyl 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-2-[4-(methylethyl)phenyl]-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate|ethyl 4-(1-(3-(dimethylamino)propyl)-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate|ethyl 4-[(E)-[1-[3-(dimethylamino)propyl]-4,5-dioxo-2-(4-propan-2-ylphenyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C28H37N3O5 |
|---|---|
| Molecular Weight | 495.27332 g/mol |
| LogP | 4.30504 |
| Topological Polar Surface Area | 102.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 495.27332 |
| Monoisotopic Mass | 495.27332 |
| Heavy Atoms | 36 |
| Complexity | 1174.5372 |
Chemical Identifiers
| CAS Number | 846580-07-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(N1)C)/C(=C\2/C(N(C(=O)C2=O)CCCN(C)C)C3=CC=C(C=C3)C(C)C)/O)C |
Product Overview
AC1O2ONQ (CAS 846580-07-2), with molecular formula C28H37N3O5 and molecular weight 495.27332 g/mol. IUPAC: ethyl 4-[(E)-[1-[3-(dimethylamino)propyl]-4,5-dioxo-2-(4-propan-2-ylphenyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
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