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77917-85-2 | 2,3-Piperazinedione,1-[[4-(diethylamino)phenyl]methyl]-4-(2-pyridinylmethyl)-
CAS No: 77917-85-2 Catalog No: AG0056J0 MDL No:
Product Description
Catalog Number:
AG0056J0
Chemical Name:
2,3-Piperazinedione,1-[[4-(diethylamino)phenyl]methyl]-4-(2-pyridinylmethyl)-
CAS Number:
77917-85-2
Molecular Formula:
C21H26N4O2
Molecular Weight:
366.4567
IUPAC Name:
1-[[4-(diethylamino)phenyl]methyl]-4-(pyridin-2-ylmethyl)piperazine-2,3-dione
InChI:
InChI=1S/C21H26N4O2/c1-3-23(4-2)19-10-8-17(9-11-19)15-24-13-14-25(21(27)20(24)26)16-18-7-5-6-12-22-18/h5-12H,3-4,13-16H2,1-2H3
InChI Key:
FPIDXEXPTVKRGD-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1)CN1CCN(C(=O)C1=O)Cc1ccccn1)CC
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.206g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.465g/mol
Monoisotopic Mass:
366.206g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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