AC1O3JE6
ethyl 4-[(E)-[2-(4-chlorophenyl)-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: ethyl 4-(2-(4-chlorophenyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate|ethyl 4-[(E)-[2-(4-chlorophenyl)-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C26H24ClN3O5 |
|---|---|
| Molecular Weight | 493.14044 g/mol |
| LogP | 4.47854 |
| Topological Polar Surface Area | 112.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 493.14044 |
| Monoisotopic Mass | 493.14044 |
| Heavy Atoms | 35 |
| Complexity | 1329.022 |
Chemical Identifiers
| CAS Number | 847366-81-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(N1)C)/C(=C\2/C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)Cl)/O)C |
Product Overview
AC1O3JE6 (CAS 847366-81-8), with molecular formula C26H24ClN3O5 and molecular weight 493.14044 g/mol. IUPAC: ethyl 4-[(E)-[2-(4-chlorophenyl)-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
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