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77917-05-6 | 1-[[4-[(5-AMINO(PYRIDIN-2-YL))AMINO]PHENYL]METHYL]-4-BENZYL-PIPERAZINE-2 ,3-DIONE
CAS No: 77917-05-6 Catalog No: AG005EHU MDL No:
Product Description
Catalog Number:
AG005EHU
Chemical Name:
1-[[4-[(5-AMINO(PYRIDIN-2-YL))AMINO]PHENYL]METHYL]-4-BENZYL-PIPERAZINE-2 ,3-DIONE
CAS Number:
77917-05-6
Molecular Formula:
C23H23N5O2
Molecular Weight:
401.4610
IUPAC Name:
1-[[4-[(5-aminopyridin-2-yl)amino]phenyl]methyl]-4-benzylpiperazine-2,3-dione
InChI:
InChI=1S/C23H23N5O2/c24-19-8-11-21(25-14-19)26-20-9-6-18(7-10-20)16-28-13-12-27(22(29)23(28)30)15-17-4-2-1-3-5-17/h1-11,14H,12-13,15-16,24H2,(H,25,26)
InChI Key:
LUVZPXBDBMIADQ-UHFFFAOYSA-N
SMILES:
Nc1ccc(nc1)Nc1ccc(cc1)CN1CCN(C(=O)C1=O)Cc1ccccc1
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.185g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
401.47g/mol
Monoisotopic Mass:
401.185g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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