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Home > Imidazoles > 91625-87-5
91625-87-5 | Imidazolidinetrione, 1,1'-(1-methyl-1,2-ethanediyl)bis[3-phenyl-
CAS No: 91625-87-5 Catalog No: AG006FK2 MDL No:
Product Description
Catalog Number:
AG006FK2
Chemical Name:
Imidazolidinetrione, 1,1'-(1-methyl-1,2-ethanediyl)bis[3-phenyl-
CAS Number:
91625-87-5
Molecular Formula:
C21H16N4O6
Molecular Weight:
420.3749
IUPAC Name:
1-phenyl-3-[2-(2,4,5-trioxo-3-phenylimidazolidin-1-yl)propyl]imidazolidine-2,4,5-trione
InChI:
InChI=1S/C21H16N4O6/c1-13(23-18(28)19(29)25(21(23)31)15-10-6-3-7-11-15)12-22-16(26)17(27)24(20(22)30)14-8-4-2-5-9-14/h2-11,13H,12H2,1H3
InChI Key:
NTXJHVSXQWYCGE-UHFFFAOYSA-N
SMILES:
O=C1N(c2ccccc2)C(=O)N(C1=O)CC(N1C(=O)C(=O)N(C1=O)c1ccccc1)C
Properties
Complexity:
830
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.107g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
420.381g/mol
Monoisotopic Mass:
420.107g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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