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16460-27-8 | 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(3-methoxyphenyl)-
CAS No: 16460-27-8 Catalog No: AG001UZ3 MDL No:
Product Description
Catalog Number:
AG001UZ3
Chemical Name:
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(3-methoxyphenyl)-
CAS Number:
16460-27-8
Molecular Formula:
C24H21N3O6
Molecular Weight:
447.4400
IUPAC Name:
1,3,5-tris(3-methoxyphenyl)-1,3,5-triazinane-2,4,6-trione
InChI:
InChI=1S/C24H21N3O6/c1-31-19-10-4-7-16(13-19)25-22(28)26(17-8-5-11-20(14-17)32-2)24(30)27(23(25)29)18-9-6-12-21(15-18)33-3/h4-15H,1-3H3
InChI Key:
KIWRDDNMYXTINQ-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)n1c(=O)n(c2cccc(c2)OC)c(=O)n(c1=O)c1cccc(c1)OC
Properties
Complexity:
614
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
447.143g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
447.447g/mol
Monoisotopic Mass:
447.143g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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