AC1NZ8YS
methyl 4-[(E)-hydroxy-[2-(4-methoxycarbonylphenyl)-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: methyl 4-({4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-1-(3-morpholin-4-ylpropyl)- 5-oxo(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate|methyl 4-(4-hydroxy-2-(4-(methoxycarbonyl)phenyl)-1-(3-morpholinopropyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate|methyl 4-[(E)-hydroxy-[2-(4-methoxycarbonylphenyl)-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C28H33N3O8 |
|---|---|
| Molecular Weight | 539.22675 g/mol |
| LogP | 2.34874 |
| Topological Polar Surface Area | 138.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 539.22675 |
| Monoisotopic Mass | 539.22675 |
| Heavy Atoms | 39 |
| Complexity | 1304.8057 |
Chemical Identifiers
| CAS Number | 577986-91-5 |
|---|---|
| SMILES | CC1=C(NC(=C1/C(=C\2/C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=C(C=C4)C(=O)OC)/O)C)C(=O)OC |
Product Overview
AC1NZ8YS (CAS 577986-91-5), with molecular formula C28H33N3O8 and molecular weight 539.22675 g/mol. IUPAC: methyl 4-[(E)-hydroxy-[2-(4-methoxycarbonylphenyl)-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.