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1785-03-1 | 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(4-methylphenyl)-
CAS No: 1785-03-1 Catalog No: AG00263V MDL No:
Product Description
Catalog Number:
AG00263V
Chemical Name:
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(4-methylphenyl)-
CAS Number:
1785-03-1
Molecular Formula:
C24H21N3O3
Molecular Weight:
399.4418
IUPAC Name:
1,3,5-tris(4-methylphenyl)-1,3,5-triazinane-2,4,6-trione
InChI:
InChI=1S/C24H21N3O3/c1-16-4-10-19(11-5-16)25-22(28)26(20-12-6-17(2)7-13-20)24(30)27(23(25)29)21-14-8-18(3)9-15-21/h4-15H,1-3H3
InChI Key:
GEPCRFVQDHGHNE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1c(=O)n(c2ccc(cc2)C)c(=O)n(c1=O)c1ccc(cc1)C
Properties
Complexity:
542
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.158g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
399.45g/mol
Monoisotopic Mass:
399.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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