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Home Other Building Blocks 1,3,5-Triazine, 2,4,6-triphenoxy-

1,3,5-Triazine, 2,4,6-triphenoxy-

CAS No.:
1919-48-8
Catalog Number:
AG002FJC
Molecular Formula:
C21H15N3O3
Molecular Weight:
357.3621
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Product Description
Catalog Number:
AG002FJC
Chemical Name:
1,3,5-Triazine, 2,4,6-triphenoxy-
CAS Number:
1919-48-8
Molecular Formula:
C21H15N3O3
Molecular Weight:
357.3621
MDL Number:
MFCD00006048
IUPAC Name:
2,4,6-triphenoxy-1,3,5-triazine
InChI:
InChI=1S/C21H15N3O3/c1-4-10-16(11-5-1)25-19-22-20(26-17-12-6-2-7-13-17)24-21(23-19)27-18-14-8-3-9-15-18/h1-15H
InChI Key:
IYDYVVVAQKFGBS-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Oc1nc(nc(n1)Oc1ccccc1)Oc1ccccc1
UNII:
EI8X45A9IB
NSC Number:
76476
Properties
Complexity:
347  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.111g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.369g/mol
Monoisotopic Mass:
357.111g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Specificity in structure-based drug design: identification of a novel, selective inhibitor of Pneumocystis carinii dihydrofolate reductase. Proteins 19970901
Properties