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26217-88-9 | 1,3,5-Triazine-2,4,6-triamine, N2,N4,N6-tris(phenylmethyl)-
CAS No: 26217-88-9 Catalog No: AG002SBD MDL No:
Product Description
Catalog Number:
AG002SBD
Chemical Name:
1,3,5-Triazine-2,4,6-triamine, N2,N4,N6-tris(phenylmethyl)-
CAS Number:
26217-88-9
Molecular Formula:
C24H24N6
Molecular Weight:
396.4876
IUPAC Name:
2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
InChI:
InChI=1S/C24H24N6/c1-4-10-19(11-5-1)16-25-22-28-23(26-17-20-12-6-2-7-13-20)30-24(29-22)27-18-21-14-8-3-9-15-21/h1-15H,16-18H2,(H3,25,26,27,28,29,30)
InChI Key:
WNHWOHOTTGCSET-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CNc1nc(NCc2ccccc2)nc(n1)NCc1ccccc1
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.206g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
396.498g/mol
Monoisotopic Mass:
396.206g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
Literature
| Title | Journal |
|---|---|
| The ESI CAD fragmentations of protonated 2,4,6-tris(benzylamino)- and tris(benzyloxy)-1,3,5-triazines involve benzyl-benzyl interactions: a DFT study. | Journal of mass spectrometry : JMS 20120701 |
| Synthesis and antibacterial activity of 2,4,6-tri substituted s-triazines. | Bioorganic & medicinal chemistry letters 20050215 |
| Design, synthesis, and in vitro biological evaluation of small molecule inhibitors of estrogen receptor alpha coactivator binding. | Journal of medicinal chemistry 20040129 |
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