AC1O1OAH

methyl 4-[(E)-[2-(4-bromophenyl)-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Also Known As: methyl 4-(2-(4-bromophenyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate|methyl 4-[(E)-[2-(4-bromophenyl)-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate|methyl 4-{[2-(4-bromophenyl)-4-hydroxy-5-oxo-1-(3-pyridylmethyl)(3-pyrrolin-3- yl)]carbonyl}-3,5-dimethylpyrrole-2-carboxylate

Molecular Formula	C25H22BrN3O5
Molecular Weight	523.0743 g/mol
LogP	4.19754
Topological Polar Surface Area	112.59 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	523.0743
Monoisotopic Mass	523.0743
Heavy Atoms	34
Complexity	1312.324

Chemical Identifiers

CAS Number	797015-46-4
SMILES	CC1=C(NC(=C1/C(=C\2/C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)Br)/O)C)C(=O)OC