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89291-86-1 | 2,5-Piperazinedione, 3,6-dibromo-1,4-bis(phenylmethyl)-
CAS No: 89291-86-1 Catalog No: AG0040US MDL No:
Product Description
Catalog Number:
AG0040US
Chemical Name:
2,5-Piperazinedione, 3,6-dibromo-1,4-bis(phenylmethyl)-
CAS Number:
89291-86-1
Molecular Formula:
C18H16Br2N2O2
Molecular Weight:
452.1398
IUPAC Name:
1,4-dibenzyl-3,6-dibromopiperazine-2,5-dione
InChI:
InChI=1S/C18H16Br2N2O2/c19-15-18(24)22(12-14-9-5-2-6-10-14)16(20)17(23)21(15)11-13-7-3-1-4-8-13/h1-10,15-16H,11-12H2
InChI Key:
KWIMPWDKHCHFER-UHFFFAOYSA-N
SMILES:
BrC1C(=O)N(Cc2ccccc2)C(C(=O)N1Cc1ccccc1)Br
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
451.956g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
452.146g/mol
Monoisotopic Mass:
449.958g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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