AC1NY0YG
methyl 4-[(E)-[2-(2,3-dimethoxyphenyl)-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: methyl 4-(2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(3-morpholinopropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate|methyl 4-[(E)-[2-(2,3-dimethoxyphenyl)-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate|methyl 4-{[2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-5-oxo( 3-pyrrolin-3-yl)]carbonyl}-3,5-dimethylpyrrole-2-carboxylate
| Molecular Formula | C28H35N3O8 |
|---|---|
| Molecular Weight | 541.24243 g/mol |
| LogP | 2.57934 |
| Topological Polar Surface Area | 130.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 541.24243 |
| Monoisotopic Mass | 541.24243 |
| Heavy Atoms | 39 |
| Complexity | 1291.9619 |
Chemical Identifiers
| CAS Number | 577698-48-7 |
|---|---|
| SMILES | CC1=C(NC(=C1/C(=C\2/C(N(C(=O)C2=O)CCCN3CCOCC3)C4=C(C(=CC=C4)OC)OC)/O)C)C(=O)OC |
Product Overview
AC1NY0YG (CAS 577698-48-7), with molecular formula C28H35N3O8 and molecular weight 541.24243 g/mol. IUPAC: methyl 4-[(E)-[2-(2,3-dimethoxyphenyl)-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.