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6858-59-9 | 2,5-Piperazinedione,3,6-bis(1H-imidazol-5-ylmethyl)-
CAS No: 6858-59-9 Catalog No: AG006ICA MDL No:
Product Description
Catalog Number:
AG006ICA
Chemical Name:
2,5-Piperazinedione,3,6-bis(1H-imidazol-5-ylmethyl)-
CAS Number:
6858-59-9
Molecular Formula:
C12H14N6O2
Molecular Weight:
274.2786
IUPAC Name:
3,6-bis(1H-imidazol-5-ylmethyl)piperazine-2,5-dione
InChI:
InChI=1S/C12H14N6O2/c19-11-9(1-7-3-13-5-15-7)17-12(20)10(18-11)2-8-4-14-6-16-8/h3-6,9-10H,1-2H2,(H,13,15)(H,14,16)(H,17,20)(H,18,19)
InChI Key:
DTWZALREPCVBIQ-UHFFFAOYSA-N
SMILES:
O=C1NC(Cc2nc[nH]c2)C(=O)NC1Cc1nc[nH]c1
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.118g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
274.284g/mol
Monoisotopic Mass:
274.118g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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