AC1O0KOC

methyl 4-[(E)-[2-(2-fluorophenyl)-1-(2-morpholin-4-ylethyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Also Known As: methyl 4-(2-(2-fluorophenyl)-4-hydroxy-1-(2-morpholinoethyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate|methyl 4-[(E)-[2-(2-fluorophenyl)-1-(2-morpholin-4-ylethyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate|methyl 4-[(Z)-[2-(2-fluorophenyl)-1-(2-morpholin-4-ylethyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate|methyl 4-{[2-(2-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxo(3-pyrr olin-3-yl)]carbonyl}-3,5-dimethylpyrrole-2-carboxylate

Molecular Formula	C25H28FN3O6
Molecular Weight	485.19623 g/mol
LogP	2.31114
Topological Polar Surface Area	112.17 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	485.19623
Monoisotopic Mass	485.19623
Heavy Atoms	35
Complexity	1197.8042

Chemical Identifiers

CAS Number	847159-47-1
SMILES	CC1=C(NC(=C1/C(=C\2/C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC=CC=C4F)/O)C)C(=O)OC