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Home > Other Heterocycles > 52321-12-7
52321-12-7 | 2,5-dibenzyl-2,5-diazabicyclo[2.2.2]octane-3,6-dione
CAS No: 52321-12-7 Catalog No: AG01ANBK MDL No:MFCD29054851
Product Description
Catalog Number:
AG01ANBK
Chemical Name:
2,5-dibenzyl-2,5-diazabicyclo[2.2.2]octane-3,6-dione
CAS Number:
52321-12-7
Molecular Formula:
C20H20N2O2
Molecular Weight:
320.3850
MDL Number:
MFCD29054851
IUPAC Name:
2,5-dibenzyl-2,5-diazabicyclo[2.2.2]octane-3,6-dione
InChI:
InChI=1S/C20H20N2O2/c23-19-18-12-11-17(21(19)13-15-7-3-1-4-8-15)20(24)22(18)14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChI Key:
RFKYGTVNUUMQDO-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2ccccc2)C2CCC1N(C2=O)Cc1ccccc1
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.152g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.392g/mol
Monoisotopic Mass:
320.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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