(E)-but-2-enedioic acid;methyl 4-[2-(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate


Chemical Name: (E)-but-2-enedioic acid;methyl 4-[2-(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate
CAS Number: 126766-32-3
Product Number: AG000T7X(AGN-PC-014YQA)
Synonyms:
MDL No: MFCD00274044
Molecular Formula: C23H29Cl2N3O7
Molecular Weight: 530.3983

Identification/Properties


Computed Properties
Molecular Weight:
530.399g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
7
Exact Mass:
529.138g/mol
Monoisotopic Mass:
529.138g/mol
Topological Polar Surface Area:
128A^2
Heavy Atom Count:
35
Formal Charge:
0
Complexity:
649
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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