AC1NZO73
ethyl 4-[(E)-[2-(4-tert-butylphenyl)-1-[2-(dimethylamino)ethyl]-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: AS-871/43389936|ethyl 4-({2-(4-tert-butylphenyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate|ethyl 4-(2-(4-(tert-butyl)phenyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate|ethyl 4-[(E)-[2-(4-tert-butylphenyl)-1-(2-dimethylaminoethyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate|ethyl 4-[(E)-[2-(4-tert-butylphenyl)-1-[2-(dimethylamino)ethyl]-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C28H37N3O5 |
|---|---|
| Molecular Weight | 495.27332 g/mol |
| LogP | 4.08904 |
| Topological Polar Surface Area | 102.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 495.27332 |
| Monoisotopic Mass | 495.27332 |
| Heavy Atoms | 36 |
| Complexity | 1199.0088 |
Chemical Identifiers
| CAS Number | 877809-78-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(N1)C)/C(=C\2/C(N(C(=O)C2=O)CCN(C)C)C3=CC=C(C=C3)C(C)(C)C)/O)C |
Product Overview
AC1NZO73 (CAS 877809-78-4), with molecular formula C28H37N3O5 and molecular weight 495.27332 g/mol. IUPAC: ethyl 4-[(E)-[2-(4-tert-butylphenyl)-1-[2-(dimethylamino)ethyl]-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.